2-azanyl-5-[(4-azanylidene-3-methyl-5-sulfo-cyclohexa-2,5-dien-1-ylidene)-(4-azanyl-3-sulfonato-phenyl)methyl]benzenesulfonate

Systemtic Name: 2-azanyl-5-[(4-azanylidene-3-methyl-5-sulfo-cyclohexa-2,5-dien-1-ylidene)-(4-azanyl-3-sulfonato-phenyl)methyl]benzenesulfonate Openeye Name: 2-amino-5-[(4-amino-3-sulfonato-phenyl)-(4-imino-3-methyl-5-sulfo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate CAS Name: 2-amino-5-[(4-amino-3-sulfonatophenyl)-(4-imino-3-methyl-5-sulfo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonate IUPAC Name: 2-amino-5-[(4-amino-3-sulfonatophenyl)-(4-imino-3-methyl-5-sulfocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate Traditional Name: 2-amino-5-[(4-amino-3-sulfonato-phenyl)-(4-imino-3-methyl-5-sulfo-cyclohexa-2,5-dien-1-ylidene)methyl]besylate Formula: C20H17N3O9S3-2 MolecularWeight: 539.55868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=CC(=C(C=C2)N)S(=O)(=O)[O-])C3=CC(=C(C=C3)N)S(=O)(=O)[O-])C=C(C1=N)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C2=CC(=C(C=C2)N)S(=O)(=O)[O-])C3=CC(=C(C=C3)N)S(=O)(=O)[O-])C=C(C1=N)S(=O)(=O)O

InChI

InChI=1S/C20H19N3O9S3/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29/h2-9,23H,21-22H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32)/p-2