[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-oxo-2-(2-phenylanilino)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-oxo-2-(2-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylanilino)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-keto-2-(2-phenylanilino)ethyl] ester Formula: C28H19NO6S MolecularWeight: 497.51856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C28H19NO6S/c30-26(29-23-12-6-4-10-20(23)18-8-2-1-3-9-18)17-35-28(32)19-14-15-22-25(16-19)36(33,34)24-13-7-5-11-21(24)27(22)31/h1-16H,17H2,(H,29,30)