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

Systemtic Name: 2-azanyl-5-[(E)-(4-azanyl-3-sulfo-phenyl)-(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-benzenesulfonic acid Openeye Name: 2-amino-5-[(E)-(4-amino-3-sulfo-phenyl)-(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-benzenesulfonic acid CAS Name: 2-amino-5-[(E)-(4-amino-3-sulfophenyl)-(3-sulfo-1-cyclohexa-2,5-dienylidene)methyl]-3-methylbenzenesulfonic acid IUPAC Name: 2-amino-5-[(E)-(4-amino-3-sulfophenyl)-(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonic acid Traditional Name: 2-amino-5-[(E)-(4-amino-3-sulfo-phenyl)-(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-besylic acid Formula: C20H20N2O9S3 MolecularWeight: 528.5758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=C2C=CCC(=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(=CC(=C1)/C(=C/2\C=CCC(=C2)S(=O)(=O)O)/C3=CC(=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C20H20N2O9S3/c1-11-7-14(10-18(20(11)22)34(29,30)31)19(12-3-2-4-15(8-12)32(23,24)25)13-5-6-16(21)17(9-13)33(26,27)28/h2-3,5-10H,4,21-22H2,1H3,(H,23,24,25)(H,26,27,28)(H,29,30,31)/b19-12+