4-dodecylbenzenesulfonic acid (Q27285559)

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chemical compound

• p-dodecylbenzenesulfonic acid

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Language	Label	Description	Also known as
English	4-dodecylbenzenesulfonic acid	chemical compound	p-dodecylbenzenesulfonic acid

Statements

instance of

type of chemical entity

0 references

subclass of

dodecylbenzenesulfonic acids

0 references

chemical structure

Dodecylbenzenesulfonic acid.svg
1,055 × 250; 12 KB

0 references

mass

326.192±0 dalton

1 reference

stated in

PubChem

PubChem CID

8485

language of work or name

English

title

4-DODECYLBENZENESULFONIC ACID (English)

retrieved

14 October 2016

conjugate base

4-dodecylbenzenesulfonic acid ion(1-)

0 references

chemical formula

C₁₈H₃₀O₃S

1 reference

stated in

PubChem

PubChem CID

8485

language of work or name

English

title

4-DODECYLBENZENESULFONIC ACID (English)

retrieved

19 November 2016

canonical SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O

1 reference

stated in

PubChem

PubChem CID

8485

language of work or name

English

title

4-DODECYLBENZENESULFONIC ACID (English)

retrieved

19 November 2016

Identifiers

InChI

InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)

1 reference

stated in

PubChem

PubChem CID

8485

language of work or name

English

title

4-DODECYLBENZENESULFONIC ACID (English)

retrieved

19 November 2016

InChIKey

KWXICGTUELOLSQ-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

8485

language of work or name

English

title

4-DODECYLBENZENESULFONIC ACID (English)

retrieved

19 November 2016

CAS Registry Number

121-65-3

2 references

stated in

Global Substance Registration System

UNII

OC21S23N1O

language of work or name

English

title

p-dodecylbenzenesulfonic acid (English)

retrieved

19 November 2016

InChIKey

KWXICGTUELOLSQ-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=121-65-3

ChemSpider ID

8172

1 reference

stated in

ChemSpider

ChemSpider ID

8172

language of work or name

English

title

4-Dodecylbenzenesulfonic acid (English)

retrieved

19 November 2016

PubChem CID

8485

2 references

stated in

PubChem

PubChem CID

8485

language of work or name

English

title

4-DODECYLBENZENESULFONIC ACID (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

KWXICGTUELOLSQ-UHFFFAOYSA-N

ChEBI ID

149776

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)

ChEMBL ID

CHEMBL2219674

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL2219674

language of work or name

English

title

CHEMBL2219674 (English)

retrieved

19 November 2016

SureChEMBL ID

SCHEMBL197275

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

KWXICGTUELOLSQ-UHFFFAOYSA-N

UniChem compound ID

22677592

1 reference

stated in

UniChem

MassBank accession ID

SM876251

0 references

SPLASH

splash10-004i-0209000000-4a579ba26b483f6ad141

0 references

DSSTox substance ID

DTXSID8050443

2 references

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

InChIKey

KWXICGTUELOLSQ-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID8029812

0 references

EC number

204-489-3

1 reference

stated in

Global Substance Registration System

UNII

OC21S23N1O

language of work or name

English

title

p-dodecylbenzenesulfonic acid (English)

retrieved

19 November 2016

ECHA Substance Infocard ID

100.004.082

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.004.082

retrieved

27 December 2018

title

p-dodecylbenzenesulphonic acid (English)

quotation

CAS no.: 121-65-3 (English)

AICS Chemical ID (BEING DELETED)

3405

0 references

RxNorm ID

1495319

1 reference

stated in

Global Substance Registration System

UNII

OC21S23N1O

language of work or name

English

title

p-dodecylbenzenesulfonic acid (English)

retrieved

19 November 2016

Human Metabolome Database ID

HMDB0059915

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

KWXICGTUELOLSQ-UHFFFAOYSA-N

UNII

OC21S23N1O

2 references

stated in

Global Substance Registration System

UNII

OC21S23N1O

language of work or name

English

title

p-dodecylbenzenesulfonic acid (English)

retrieved

19 November 2016

matched by identifier from

InChIKey

InChIKey

KWXICGTUELOLSQ-UHFFFAOYSA-N

HCIS ID

4887

0 references

 

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