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

Systemtic Name: 1-azanyl-4-[(2-methoxy-3-methyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(2-methoxy-3-methyl-anilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(2-methoxy-3-methylanilino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(2-methoxy-3-methylanilino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-(2-methoxy-3-methyl-anilino)anthracene-2-sulfonic acid Formula: C22H18N2O6S MolecularWeight: 438.45312

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O6S/c1-11-6-5-9-14(22(11)30-2)24-15-10-16(31(27,28)29)19(23)18-17(15)20(25)12-7-3-4-8-13(12)21(18)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)