phenyl 1-azanyl-9,10-bis(oxidanylidene)-4-(4-phenylphenyl)sulfanyl-anthracene-2-carboxylate

Systemtic Name: phenyl 1-azanyl-9,10-bis(oxidanylidene)-4-(4-phenylphenyl)sulfanyl-anthracene-2-carboxylate Openeye Name: phenyl 1-amino-9,10-dioxo-4-(4-phenylphenyl)sulfanyl-anthracene-2-carboxylate CAS Name: 1-amino-9,10-dioxo-4-[(4-phenylphenyl)thio]-2-anthracenecarboxylic acid phenyl ester IUPAC Name: phenyl 1-amino-9,10-dioxo-4-(4-phenylphenyl)sulfanylanthracene-2-carboxylate Traditional Name: 1-amino-9,10-diketo-4-[(4-phenylphenyl)thio]anthracene-2-carboxylic acid phenyl ester Formula: C33H21NO4S MolecularWeight: 527.58914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)SC3=C4C(=C(C(=C3)C(=O)OC5=CC=CC=C5)N)C(=O)C6=CC=CC=C6C4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)SC3=C4C(=C(C(=C3)C(=O)OC5=CC=CC=C5)N)C(=O)C6=CC=CC=C6C4=O

InChI

InChI=1S/C33H21NO4S/c34-30-26(33(37)38-22-11-5-2-6-12-22)19-27(28-29(30)32(36)25-14-8-7-13-24(25)31(28)35)39-23-17-15-21(16-18-23)20-9-3-1-4-10-20/h1-19H,34H2