(Q27269297)

Benzenesulfonate, 4-[[9-(2-carboxyphenyl)-6-[(2-methylphenyl)amino]-3-xanthyliumyl]amino]-3-methyl-, sodium salt (1:1) (English)

14 October 2016

chemical formula

C₃₄H₂₆N₂NaO₆S⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC=CC=C1NC2=CC=C3C(=C2)[O+]=C4C=C(C=CC4=C3C5=CC=CC=C5C(=O)O)NC6=CC=C(C=C6C)S(=O)(=O)[O-].[Na+]

1 reference

acid violet 9 (English)

InChI=1S/C34H26N2O6S.Na/c1-20-7-3-6-10-29(20)35-22-11-14-27-31(18-22)42-32-19-23(36-30-16-13-24(17-21(30)2)43(39,40)41)12-15-28(32)33(27)25-8-4-5-9-26(25)34(37)38;/h3-19,35-36H,1-2H3,(H-,37,38,39,40,41);/q;+1

14 October 2016

Identifiers

InChI

1 reference

acid violet 9 (English)

UWMZZSRDUVJJDP-UHFFFAOYSA-N

14 October 2016

InChIKey

1 reference

acid violet 9 (English)

14 October 2016

1 reference

acid violet 9 (English)

14 October 2016

1 reference

matched by identifier from

Sodium 4-({9-(2-carboxyphenyl)-6-[(2-methylphenyl)amino]-3H-xanthen-3-ylidene}amino)-3-methylbenzenesulfonate (English)

12 November 2019

0 references

1 reference

InChIKey

UWMZZSRDUVJJDP-UHFFFAOYSA-N

1 reference

0 references

DSSTOX compound identifier

DTXCID1024968

0 references

EC number

228-377-9

1 reference

acid violet 9 (English)

ECHA Substance Infocard ID

14 October 2016

100.025.798

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.025.798

27 December 2018

AICS Chemical ID (BEING DELETED)

Hydrogen 9-(2-carboxylatophenyl)-3-(2-methylanilino)-6-(2-methyl-4-sulphoanilino)xanthylium, monosodium salt (English)

quotation

CAS no.: 6252-76-2 (English)

1 reference

28 December 2019

CI 45190 (English)

CAS no.: 6252-76-2 (English)

0 references

2 references

acid violet 9 (English)