1-azanyl-4-[(3-methyl-4-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(3-methyl-4-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(3-methyl-4-sulfo-anilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(3-methyl-4-sulfoanilino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(3-methyl-4-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-(3-methyl-4-sulfo-anilino)anthracene-2-sulfonic acid Formula: C21H16N2O8S2 MolecularWeight: 488.49034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H16N2O8S2/c1-10-8-11(6-7-15(10)32(26,27)28)23-14-9-16(33(29,30)31)19(22)18-17(14)20(24)12-4-2-3-5-13(12)21(18)25/h2-9,23H,22H2,1H3,(H,26,27,28)(H,29,30,31)