1-azanyl-4-[(6-methyl-2-sulfo-cyclohexa-2,4-dien-1-yl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(6-methyl-2-sulfo-cyclohexa-2,4-dien-1-yl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[(6-methyl-2-sulfo-cyclohexa-2,4-dien-1-yl)amino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[(6-methyl-2-sulfo-1-cyclohexa-2,4-dienyl)amino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[(6-methyl-2-sulfocyclohexa-2,4-dien-1-yl)amino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[(6-methyl-2-sulfo-cyclohexa-2,4-dien-1-yl)amino]anthracene-2-sulfonic acid Formula: C21H18N2O8S2 MolecularWeight: 490.50622

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC=C(C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1C=CC=C(C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H18N2O8S2/c1-10-5-4-8-14(32(26,27)28)19(10)23-13-9-15(33(29,30)31)18(22)17-16(13)20(24)11-6-2-3-7-12(11)21(17)25/h2-10,19,23H,22H2,1H3,(H,26,27,28)(H,29,30,31)