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

Systemtic Name: 1-azanyl-4-[(4-methylphenyl)methyl]-9,10-bis(oxidanylidene)-3-sulfanyl-anthracene-2-carboxylic acid Openeye Name: 1-amino-9,10-dioxo-4-(p-tolylmethyl)-3-sulfanyl-anthracene-2-carboxylic acid CAS Name: 1-amino-3-mercapto-4-[(4-methylphenyl)methyl]-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 1-amino-4-[(4-methylphenyl)methyl]-9,10-dioxo-3-sulfanylanthracene-2-carboxylic acid Traditional Name: 1-amino-9,10-diketo-3-mercapto-4-(4-methylbenzyl)anthracene-2-carboxylic acid Formula: C23H17NO4S MolecularWeight: 403.45038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(C(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)C(=O)O)S

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(C(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)C(=O)O)S

InChI

InChI=1S/C23H17NO4S/c1-11-6-8-12(9-7-11)10-15-16-17(19(24)18(22(15)29)23(27)28)21(26)14-5-3-2-4-13(14)20(16)25/h2-9,29H,10,24H2,1H3,(H,27,28)