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

Systemtic Name: 2-azanyl-5-[(Z)-(4-azanylidene-3-methyl-5-sulfo-cyclohexa-2,5-dien-1-ylidene)-(4-azanyl-3-sulfo-phenyl)methyl]-3-methyl-benzenesulfonic acid Openeye Name: 2-amino-5-[(Z)-(4-amino-3-sulfo-phenyl)-(4-imino-3-methyl-5-sulfo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-benzenesulfonic acid CAS Name: 2-amino-5-[(Z)-(4-amino-3-sulfophenyl)-(4-imino-3-methyl-5-sulfo-1-cyclohexa-2,5-dienylidene)methyl]-3-methylbenzenesulfonic acid IUPAC Name: 2-amino-5-[(Z)-(4-amino-3-sulfophenyl)-(4-imino-3-methyl-5-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonic acid Traditional Name: 2-amino-5-[(Z)-(4-amino-3-sulfo-phenyl)-(4-imino-3-methyl-5-sulfo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-besylic acid Formula: C21H21N3O9S3 MolecularWeight: 555.60114

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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)S(=O)(=O)O)N)C)C=C(C1=N)S(=O)(=O)O

Isomeric SMILES

CC1=C/C(=C(\C2=CC(=C(C=C2)N)S(=O)(=O)O)/C3=CC(=C(C(=C3)S(=O)(=O)O)N)C)/C=C(C1=N)S(=O)(=O)O

InChI

InChI=1S/C21H21N3O9S3/c1-10-5-13(8-17(20(10)23)35(28,29)30)19(12-3-4-15(22)16(7-12)34(25,26)27)14-6-11(2)21(24)18(9-14)36(31,32)33/h3-9,23H,22,24H2,1-2H3,(H,25,26,27)(H,28,29,30)(H,31,32,33)/b19-13-,23-20?