[6-(4-methylphenyl)sulfanyl-5-oxidanyl-3,4-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [6-(4-methylphenyl)sulfanyl-5-oxidanyl-3,4-bis(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [3,4-dibenzoyloxy-5-hydroxy-6-(p-tolylsulfanyl)tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-hydroxy-6-[(4-methylphenyl)thio]-2-oxanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-hydroxy-6-(4-methylphenyl)sulfanyloxan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-hydroxy-6-(p-tolylthio)tetrahydropyran-2-yl]methyl ester Formula: C34H30O8S MolecularWeight: 598.6622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C34H30O8S/c1-22-17-19-26(20-18-22)43-34-28(35)30(42-33(38)25-15-9-4-10-16-25)29(41-32(37)24-13-7-3-8-14-24)27(40-34)21-39-31(36)23-11-5-2-6-12-23/h2-20,27-30,34-35H,21H2,1H3