sodium 3-[[4-[(2-methylphenyl)amino]-5-sulfo-naphthalen-1-yl]diazenyl]-2,1-benzothiazole-5-sulfonate

Systemtic Name: sodium 3-[[4-[(2-methylphenyl)amino]-5-sulfo-naphthalen-1-yl]diazenyl]-2,1-benzothiazole-5-sulfonate Openeye Name: sodium 3-[[4-(2-methylanilino)-5-sulfo-1-naphthyl]azo]-2,1-benzothiazole-5-sulfonate CAS Name: sodium 3-[[4-(2-methylanilino)-5-sulfo-1-naphthalenyl]azo]-2,1-benzothiazole-5-sulfonate IUPAC Name: sodium 3-[[4-(2-methylanilino)-5-sulfonaphthalen-1-yl]diazenyl]-2,1-benzothiazole-5-sulfonate Traditional Name: sodium 3-[[4-(o-toluidino)-5-sulfo-1-naphthyl]azo]-2,1-benzothiazole-5-sulfonate Formula: C24H17N4NaO6S3 MolecularWeight: 576.59975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C3C(=C(C=C2)N=NC4=C5C=C(C=CC5=NS4)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)O.[Na+]

Isomeric SMILES

CC1=CC=CC=C1NC2=C3C(=C(C=C2)N=NC4=C5C=C(C=CC5=NS4)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)O.[Na+]

InChI

InChI=1S/C24H18N4O6S3.Na/c1-14-5-2-3-7-18(14)25-21-12-11-19(16-6-4-8-22(23(16)21)37(32,33)34)26-27-24-17-13-15(36(29,30)31)9-10-20(17)28-35-24;/h2-13,25H,1H3,(H,29,30,31)(H,32,33,34);/q;+1/p-1