[3,4,5-tris(phenylcarbonyloxy)-6-phenylsulfanyl-oxan-2-yl]methyl benzoate

Systemtic Name: [3,4,5-tris(phenylcarbonyloxy)-6-phenylsulfanyl-oxan-2-yl]methyl benzoate Openeye Name: (3,4,5-tribenzoyloxy-6-phenylsulfanyl-tetrahydropyran-2-yl)methyl benzoate CAS Name: benzoic acid [3,4,5-tribenzoyloxy-6-(phenylthio)-2-oxanyl]methyl ester IUPAC Name: (3,4,5-tribenzoyloxy-6-phenylsulfanyloxan-2-yl)methyl benzoate Traditional Name: benzoic acid [3,4,5-tribenzoyloxy-6-(phenylthio)tetrahydropyran-2-yl]methyl ester Formula: C40H32O9S MolecularWeight: 688.74168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)SC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)SC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C40H32O9S/c41-36(27-16-6-1-7-17-27)45-26-32-33(47-37(42)28-18-8-2-9-19-28)34(48-38(43)29-20-10-3-11-21-29)35(49-39(44)30-22-12-4-13-23-30)40(46-32)50-31-24-14-5-15-25-31/h1-25,32-35,40H,26H2