3-methoxybenzenesulfonic acid (Q46664836)

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chemical compound

• 3-Methoxybenzenesulfonic acid

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Language	Label	Description	Also known as
English	3-methoxybenzenesulfonic acid	chemical compound	3-Methoxybenzenesulfonic acid

Statements

instance of

type of chemical entity

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subclass of

methoxybenzenesulfonic acids

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chemical structure

3-Methoxybenzenesulfonic acid.svg
438 × 398; 9 KB

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mass

188.014329736 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₇H₈O₄S

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canonical SMILES

COC1=CC(=CC=C1)S(=O)(=O)O

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Identifiers

InChI

InChI=1S/C7H8O4S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3,(H,8,9,10)

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InChIKey

CDZWHCZLBLCDFR-UHFFFAOYSA-N

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CAS Registry Number

34256-01-4

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PubChem CID

12037036

1 reference

matched by identifier from

InChIKey

InChIKey

CDZWHCZLBLCDFR-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL669998

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

CDZWHCZLBLCDFR-UHFFFAOYSA-N

UniChem compound ID

25508936

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID00476302

1 reference

matched by identifier from

InChIKey

InChIKey

CDZWHCZLBLCDFR-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID00427112

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