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

Systemtic Name: 4-[(4-methyl-3-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)-1-(propan-2-ylamino)anthracene-2-sulfonic acid Openeye Name: 1-(isopropylamino)-4-(4-methyl-3-sulfo-anilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 4-(4-methyl-3-sulfoanilino)-9,10-dioxo-1-(propan-2-ylamino)-2-anthracenesulfonic acid IUPAC Name: 4-(4-methyl-3-sulfoanilino)-9,10-dioxo-1-(propan-2-ylamino)anthracene-2-sulfonic acid Traditional Name: 1-(isopropylamino)-9,10-diketo-4-(4-methyl-3-sulfo-anilino)anthracene-2-sulfonic acid Formula: C24H22N2O8S2 MolecularWeight: 530.57008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O8S2/c1-12(2)25-22-19(36(32,33)34)11-17(26-14-9-8-13(3)18(10-14)35(29,30)31)20-21(22)24(28)16-7-5-4-6-15(16)23(20)27/h4-12,25-26H,1-3H3,(H,29,30,31)(H,32,33,34)