1-azanyl-4-(4-methylphenyl)-9,10-bis(oxidanylidene)-3-sulfanyl-anthracene-2-carboxylic acid

Systemtic Name: 1-azanyl-4-(4-methylphenyl)-9,10-bis(oxidanylidene)-3-sulfanyl-anthracene-2-carboxylic acid Openeye Name: 1-amino-9,10-dioxo-4-(p-tolyl)-3-sulfanyl-anthracene-2-carboxylic acid CAS Name: 1-amino-3-mercapto-4-(4-methylphenyl)-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 1-amino-4-(4-methylphenyl)-9,10-dioxo-3-sulfanylanthracene-2-carboxylic acid Traditional Name: 1-amino-9,10-diketo-3-mercapto-4-(p-tolyl)anthracene-2-carboxylic acid Formula: C22H15NO4S MolecularWeight: 389.4238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C(=C(C(=C2S)C(=O)O)N)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C(=C(C(=C2S)C(=O)O)N)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H15NO4S/c1-10-6-8-11(9-7-10)14-15-16(18(23)17(21(14)28)22(26)27)20(25)13-5-3-2-4-12(13)19(15)24/h2-9,28H,23H2,1H3,(H,26,27)