[4-(phenylcarbonyloxy)-2-[(E)-2-phenyl-1-sulfanyl-ethenyl]oxolan-3-yl]methyl benzoate

Systemtic Name: [4-(phenylcarbonyloxy)-2-[(E)-2-phenyl-1-sulfanyl-ethenyl]oxolan-3-yl]methyl benzoate Openeye Name: [4-benzoyloxy-2-[(E)-2-phenyl-1-sulfanyl-vinyl]tetrahydrofuran-3-yl]methyl benzoate CAS Name: benzoic acid [4-benzoyloxy-2-[(E)-1-mercapto-2-phenylethenyl]-3-oxolanyl]methyl ester IUPAC Name: [4-benzoyloxy-2-[(E)-2-phenyl-1-sulfanylethenyl]oxolan-3-yl]methyl benzoate Traditional Name: benzoic acid [4-benzoyloxy-2-[(E)-1-mercapto-2-phenyl-vinyl]tetrahydrofuran-3-yl]methyl ester Formula: C27H24O5S MolecularWeight: 460.54146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(O1)C(=CC2=CC=CC=C2)S)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C(C(O1)/C(=C\C2=CC=CC=C2)/S)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H24O5S/c28-26(20-12-6-2-7-13-20)31-17-22-23(32-27(29)21-14-8-3-9-15-21)18-30-25(22)24(33)16-19-10-4-1-5-11-19/h1-16,22-23,25,33H,17-18H2/b24-16+