5-acetamido-4-hydroxy-3-[(E)-phenyldiazenyl]naphthalene-2,7-disulfonic acid (Q27276715)

5-(Acetylamino)-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonicacid (English)

14 October 2016

chemical formula

C₁₈H₁₅N₃O₈S₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)NC1=CC(=CC2=C1C(=C(C(=C2)S(=O)(=O)O)N=NC3=CC=CC=C3)O)S(=O)(=O)O

1 reference

acid red 1 free acid (English)

14 October 2016

isomeric SMILES

CC(=O)NC1=CC(=CC2=C1C(=C(C(=C2)S(=O)(=O)O)/N=N/C3=CC=CC=C3)O)S(=O)(=O)O

1 reference

acid red 1 free acid (English)

InChI=1S/C18H15N3O8S2/c1-10(22)19-14-9-13(30(24,25)26)7-11-8-15(31(27,28)29)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29)/b21-20+

14 October 2016

Identifiers

InChI

1 reference

acid red 1 free acid (English)

RSNSKUBBVCGSND-QZQOTICOSA-N

14 October 2016

InChIKey

1 reference

acid red 1 free acid (English)

14 October 2016

1 reference

acid red 1 free acid (English)

14 October 2016

1 reference

DSSTOX compound identifier

5-(Acetylamino)-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonicacid (English)

14 October 2016

0 references

0 references

DTXCID3025047

0 references

EC number

246-823-0

1 reference

acid red 1 free acid (English)

ECHA Substance Infocard ID

14 October 2016

100.042.552

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.042.552

27 December 2018

AICS Chemical ID (BEING DELETED)

5-(acetylamino)-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acid (English)

quotation

CAS no.: 25317-20-8 (English)

10364

0 references

Human Metabolome Database ID

HMDB0036794

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RSNSKUBBVCGSND-QZQOTICOSA-N

2 references

acid red 1 free acid (English)