1-azanyl-4-[(4-ethyl-2,6-dimethyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(4-ethyl-2,6-dimethyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(4-ethyl-2,6-dimethyl-anilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(4-ethyl-2,6-dimethylanilino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(4-ethyl-2,6-dimethylanilino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-(4-ethyl-2,6-dimethyl-anilino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C

Isomeric SMILES

CCC1=CC(=C(C(=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)C

InChI

InChI=1S/C24H22N2O5S/c1-4-14-9-12(2)22(13(3)10-14)26-17-11-18(32(29,30)31)21(25)20-19(17)23(27)15-7-5-6-8-16(15)24(20)28/h5-11,26H,4,25H2,1-3H3,(H,29,30,31)