[5-acetyloxy-3-(4-methylphenyl)carbonyloxy-5-oxidanyl-thiolan-2-yl]methyl 4-methylbenzoate

Systemtic Name: [5-acetyloxy-3-(4-methylphenyl)carbonyloxy-5-oxidanyl-thiolan-2-yl]methyl 4-methylbenzoate Openeye Name: [5-acetoxy-5-hydroxy-3-(4-methylbenzoyl)oxy-tetrahydrothiophen-2-yl]methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-acetyloxy-5-hydroxy-3-[(4-methylphenyl)-oxomethoxy]-2-thiolanyl]methyl ester IUPAC Name: [5-acetyloxy-5-hydroxy-3-(4-methylbenzoyl)oxythiolan-2-yl]methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (5-acetoxy-5-hydroxy-3-p-toluoyloxy-tetrahydrothiophen-2-yl)methyl ester Formula: C23H24O7S MolecularWeight: 444.49746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2C(CC(S2)(O)OC(=O)C)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2C(CC(S2)(O)OC(=O)C)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H24O7S/c1-14-4-8-17(9-5-14)21(25)28-13-20-19(12-23(27,31-20)30-16(3)24)29-22(26)18-10-6-15(2)7-11-18/h4-11,19-20,27H,12-13H2,1-3H3