2-(phenylcarbonyloxy)ethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: 2-(phenylcarbonyloxy)ethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: 2-benzoyloxyethyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid 2-benzoyloxyethyl ester IUPAC Name: 2-benzoyloxyethyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid 2-benzoyloxyethyl ester Formula: C23H16O7S MolecularWeight: 436.43394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCOC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C23H16O7S/c24-21-17-8-4-5-9-19(17)31(27,28)20-14-16(10-11-18(20)21)23(26)30-13-12-29-22(25)15-6-2-1-3-7-15/h1-11,14H,12-13H2