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

Systemtic Name: 2-azanyl-5-[(4-azanylidene-3-sulfo-cyclohexa-2,5-dien-1-ylidene)-(4-azanyl-3-sulfo-phenyl)methyl]benzenesulfonic acid Openeye Name: 2-amino-5-[(4-amino-3-sulfo-phenyl)-(4-imino-3-sulfo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid CAS Name: 2-amino-5-[(4-amino-3-sulfophenyl)-(4-imino-3-sulfo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid IUPAC Name: 2-amino-5-[(4-amino-3-sulfophenyl)-(4-imino-3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid Traditional Name: 2-amino-5-[(4-amino-3-sulfo-phenyl)-(4-imino-3-sulfo-cyclohexa-2,5-dien-1-ylidene)methyl]besylic acid Formula: C19H17N3O9S3 MolecularWeight: 527.54798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=C2C=CC(=N)C(=C2)S(=O)(=O)O)C3=CC(=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1C(=C2C=CC(=N)C(=C2)S(=O)(=O)O)C3=CC(=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C19H17N3O9S3/c20-13-4-1-10(7-16(13)32(23,24)25)19(11-2-5-14(21)17(8-11)33(26,27)28)12-3-6-15(22)18(9-12)34(29,30)31/h1-9,20H,21-22H2,(H,23,24,25)(H,26,27,28)(H,29,30,31)