1-(4-azanyl-1-methyl-4-sulfamoyl-cyclohexa-2,5-dien-1-yl)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-(4-azanyl-1-methyl-4-sulfamoyl-cyclohexa-2,5-dien-1-yl)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-(4-amino-1-methyl-4-sulfamoyl-cyclohexa-2,5-dien-1-yl)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-(4-amino-1-methyl-4-sulfamoyl-1-cyclohexa-2,5-dienyl)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-(4-amino-1-methyl-4-sulfamoylcyclohexa-2,5-dien-1-yl)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-(4-amino-1-methyl-4-sulfamoyl-cyclohexa-2,5-dien-1-yl)-9,10-diketo-anthracene-2-sulfonic acid Formula: C21H18N2O7S2 MolecularWeight: 474.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(C=C1)(N)S(=O)(=O)N)C2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O

Isomeric SMILES

CC1(C=CC(C=C1)(N)S(=O)(=O)N)C2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O

InChI

InChI=1S/C21H18N2O7S2/c1-20(8-10-21(22,11-9-20)32(23,29)30)17-15(31(26,27)28)7-6-14-16(17)19(25)13-5-3-2-4-12(13)18(14)24/h2-11H,22H2,1H3,(H2,23,29,30)(H,26,27,28)