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

Systemtic Name: 1-azanyl-4-(4-methylphenyl)sulfanyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid Openeye Name: 1-amino-9,10-dioxo-4-(p-tolylsulfanyl)anthracene-2-carboxylic acid CAS Name: 1-amino-4-[(4-methylphenyl)thio]-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 1-amino-4-(4-methylphenyl)sulfanyl-9,10-dioxoanthracene-2-carboxylic acid Traditional Name: 1-amino-9,10-diketo-4-(p-tolylthio)anthracene-2-carboxylic acid Formula: C22H15NO4S MolecularWeight: 389.4238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C3C(=C(C(=C2)C(=O)O)N)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C3C(=C(C(=C2)C(=O)O)N)C(=O)C4=CC=CC=C4C3=O

InChI

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