1-azanyl-4-[(4-methylphenyl)carbonylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(4-methylphenyl)carbonylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[(4-methylbenzoyl)amino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[[(4-methylphenyl)-oxomethyl]amino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[(4-methylbenzoyl)amino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-(p-toluoylamino)anthracene-2-sulfonic acid Formula: C22H16N2O6S MolecularWeight: 436.43724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O6S/c1-11-6-8-12(9-7-11)22(27)24-15-10-16(31(28,29)30)19(23)18-17(15)20(25)13-4-2-3-5-14(13)21(18)26/h2-10H,23H2,1H3,(H,24,27)(H,28,29,30)