3-phenylpropyl 4-oxidanyl-3-[2-oxidanyl-5-(3-phenylpropoxycarbonyl)phenyl]sulfanyl-benzoate

Systemtic Name: 3-phenylpropyl 4-oxidanyl-3-[2-oxidanyl-5-(3-phenylpropoxycarbonyl)phenyl]sulfanyl-benzoate Openeye Name: 3-phenylpropyl 4-hydroxy-3-[2-hydroxy-5-(3-phenylpropoxycarbonyl)phenyl]sulfanyl-benzoate CAS Name: 4-hydroxy-3-[[2-hydroxy-5-[oxo(3-phenylpropoxy)methyl]phenyl]thio]benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-hydroxy-3-[2-hydroxy-5-(3-phenylpropoxycarbonyl)phenyl]sulfanylbenzoate Traditional Name: 4-hydroxy-3-[[2-hydroxy-5-(3-phenylpropoxycarbonyl)phenyl]thio]benzoic acid 3-phenylpropyl ester Formula: C32H30O6S MolecularWeight: 542.642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)C2=CC(=C(C=C2)O)SC3=C(C=CC(=C3)C(=O)OCCCC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)C2=CC(=C(C=C2)O)SC3=C(C=CC(=C3)C(=O)OCCCC4=CC=CC=C4)O

InChI

InChI=1S/C32H30O6S/c33-27-17-15-25(31(35)37-19-7-13-23-9-3-1-4-10-23)21-29(27)39-30-22-26(16-18-28(30)34)32(36)38-20-8-14-24-11-5-2-6-12-24/h1-6,9-12,15-18,21-22,33-34H,7-8,13-14,19-20H2