2-azanyl-6-[(Z)-(4-azanylidene-3-sulfo-cyclohexa-2,5-dien-1-ylidene)-(4-azanyl-3-sulfo-phenyl)methyl]-3-methyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-6-[(Z)-(4-azanylidene-3-sulfo-cyclohexa-2,5-dien-1-ylidene)-(4-azanyl-3-sulfo-phenyl)methyl]-3-methyl-benzenesulfonic acid Openeye Name: 2-amino-6-[(Z)-(4-amino-3-sulfo-phenyl)-(4-imino-3-sulfo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-benzenesulfonic acid CAS Name: 2-amino-6-[(Z)-(4-amino-3-sulfophenyl)-(4-imino-3-sulfo-1-cyclohexa-2,5-dienylidene)methyl]-3-methylbenzenesulfonic acid IUPAC Name: 2-amino-6-[(Z)-(4-amino-3-sulfophenyl)-(4-imino-3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonic acid Traditional Name: 2-amino-6-[(Z)-(4-amino-3-sulfo-phenyl)-(4-imino-3-sulfo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-besylic acid Formula: C20H19N3O9S3 MolecularWeight: 541.57456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=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

CC1=C(C(=C(C=C1)/C(=C\2/C=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/C20H19N3O9S3/c1-10-2-5-13(20(19(10)23)35(30,31)32)18(11-3-6-14(21)16(8-11)33(24,25)26)12-4-7-15(22)17(9-12)34(27,28)29/h2-9,21H,22-23H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32)/b18-11-,21-14?