CAS 12220-28-9 Xanthylium,3-[(2,6-dimethylphenyl)amino]-6-[(2,6-dimethylsulfophenyl)amino]-9-(2-sulfophenyl)-,inner salt,sodium salt(1:1)

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Xanthene Dyes

Xanthylium,3-[(2,6-dimethylphenyl)amino]-6-[(2,6-dimethylsulfophenyl)amino]-9-(2-sulfophenyl)-,inner salt,sodium salt(1:1)

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Catalog Number

ACM12220289

Product Name

Xanthylium,3-[(2,6-dimethylphenyl)amino]-6-[(2,6-dimethylsulfophenyl)amino]-9-(2-sulfophenyl)-,inner salt,sodium salt(1:1)

Structure

CAS

12220-28-9

Category

Xanthene Dyes

Synonyms

Xanthylium,3-[(2,6-dimethylphenyl)amino]-6-[(2,6-dimethylsulfophenyl)amino]-9-(2-sulfophenyl)-,innersalt,monosodiumsalt;ACID RED 289;hydrogen 3-(2,6-dimethylanilino)-6-(2,6-dimethylsulphonatoanilino)-9-(2-sulphonatophenyl)xanthylium, monosodium salt;Xant

IUPAC Name

sodium;4-[6-(2,6-dimethylanilino)-9-(2-sulfonatophenyl)xanthen-3-ylidene]azaniumyl-3,5-dimethylbenzenesulfonate

Molecular Weight

676.7g/mol

Molecular Formula

C35H29N2NaO7S2

Canonical SMILES

CC1=C(C(=CC=C1)C)NC2=CC3=C(C=C2)C(=C4C=CC(=[NH+]C5=C(C=C(C=C5C)S(=O)(=O)[O-])C)C=C4O3)C6=CC=CC=C6S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C35H30N2O7S2.Na/c1-20-8-7-9-21(2)34(20)36-24-12-14-27-30(18-24)44-31-19-25(37-35-22(3)16-26(17-23(35)4)45(38,39)40)13-15-28(31)33(27)29-10-5-6-11-32(29)46(41,42)43;/h5-19,36H,1-4H3,(H,38,39,40)(H,41,42,43);/q;+1/p-1

InChI Key

VFJTXNQNKLNYDE-UHFFFAOYSA-M

Complexity

1440

Covalently-Bonded Unit Count

EC Number

235-407-4

Exact Mass

676.131388g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass