1,2-bis(2-methylphenyl)guanidine; 4-oxidanyl-5-[(4-phenylazanyl-5-sulfo-naphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid

Systemtic Name: 1,2-bis(2-methylphenyl)guanidine; 4-oxidanyl-5-[(4-phenylazanyl-5-sulfo-naphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid Openeye Name: 4-[(4-anilino-5-sulfo-1-naphthyl)azo]-5-hydroxy-naphthalene-2,7-disulfonic acid; 1,2-bis(o-tolyl)guanidine CAS Name: 4-[(4-anilino-5-sulfo-1-naphthalenyl)azo]-5-hydroxynaphthalene-2,7-disulfonic acid; 1,2-bis(2-methylphenyl)guanidine IUPAC Name: 4-[(4-anilino-5-sulfonaphthalen-1-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid; 1,2-bis(2-methylphenyl)guanidine Traditional Name: 4-[(4-anilino-5-sulfo-1-naphthyl)azo]-5-hydroxy-naphthalene-2,7-disulfonic acid; 1,2-bis(o-tolyl)guanidine Formula: C71H70N12O10S3 MolecularWeight: 1347.5849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)O)C=CC=C3S(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N.C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)O)C=CC=C3S(=O)(=O)O

InChI

InChI=1S/C26H19N3O10S3.3C15H17N3/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39;3*1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39);3*3-10H,1-2H3,(H3,16,17,18)