[4,5-diacetyloxy-6-(4-methylsulfonylphenyl)carbonyl-6-phenylsulfanyl-thian-3-yl] ethanoate

Systemtic Name: [4,5-diacetyloxy-6-(4-methylsulfonylphenyl)carbonyl-6-phenylsulfanyl-thian-3-yl] ethanoate Openeye Name: [4,5-diacetoxy-6-(4-methylsulfonylbenzoyl)-6-phenylsulfanyl-tetrahydrothiopyran-3-yl] acetate CAS Name: acetic acid [4,5-diacetyloxy-6-[(4-methylsulfonylphenyl)-oxomethyl]-6-(phenylthio)-3-thianyl] ester IUPAC Name: [4,5-diacetyloxy-6-(4-methylsulfonylbenzoyl)-6-phenylsulfanylthian-3-yl] acetate Traditional Name: acetic acid [4,5-diacetoxy-6-(4-mesylbenzoyl)-6-(phenylthio)tetrahydrothiopyran-3-yl] ester Formula: C25H26O9S3 MolecularWeight: 566.66354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)(C(=O)C2=CC=C(C=C2)S(=O)(=O)C)SC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)(C(=O)C2=CC=C(C=C2)S(=O)(=O)C)SC3=CC=CC=C3

InChI

InChI=1S/C25H26O9S3/c1-15(26)32-21-14-35-25(36-19-8-6-5-7-9-19,24(34-17(3)28)22(21)33-16(2)27)23(29)18-10-12-20(13-11-18)37(4,30)31/h5-13,21-22,24H,14H2,1-4H3