[(3S,4R)-4-(4-methoxyphenyl)carbonyloxy-5-oxidanyl-thiolan-3-yl] 4-methoxybenzoate

Systemtic Name: [(3S,4R)-4-(4-methoxyphenyl)carbonyloxy-5-oxidanyl-thiolan-3-yl] 4-methoxybenzoate Openeye Name: [(3S,4R)-5-hydroxy-4-(4-methoxybenzoyl)oxy-tetrahydrothiophen-3-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(3S,4R)-5-hydroxy-4-[(4-methoxyphenyl)-oxomethoxy]-3-thiolanyl] ester IUPAC Name: [(3S,4R)-5-hydroxy-4-(4-methoxybenzoyl)oxythiolan-3-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(3S,4R)-5-hydroxy-4-p-anisoyloxy-tetrahydrothiophen-3-yl] ester Formula: C20H20O7S MolecularWeight: 404.4336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2CSC(C2OC(=O)C3=CC=C(C=C3)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)O[C@@H]2CSC([C@@H]2OC(=O)C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C20H20O7S/c1-24-14-7-3-12(4-8-14)18(21)26-16-11-28-20(23)17(16)27-19(22)13-5-9-15(25-2)10-6-13/h3-10,16-17,20,23H,11H2,1-2H3/t16-,17-,20?/m1/s1