1-azanyl-4-[(2-methoxy-5-methyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(2-methoxy-5-methyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(2-methoxy-5-methyl-anilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(2-methoxy-5-methylanilino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(2-methoxy-5-methylanilino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-(2-methoxy-5-methyl-anilino)anthracene-2-sulfonic acid Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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