[(2R,3S,4S,5R,6S)-6-(4-methylphenyl)sulfinyl-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4S,5R,6S)-6-(4-methylphenyl)sulfinyl-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4S,5R,6S)-3,4,5-tribenzoyloxy-6-(p-tolylsulfinyl)tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6S)-3,4,5-tribenzoyloxy-6-(4-methylphenyl)sulfinyl-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-tribenzoyloxy-6-(4-methylphenyl)sulfinyloxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6S)-3,4,5-tribenzoyloxy-6-(p-tolylsulfinyl)tetrahydropyran-2-yl]methyl ester Formula: C41H34O10S MolecularWeight: 718.76766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C41H34O10S/c1-27-22-24-32(25-23-27)52(46)41-36(51-40(45)31-20-12-5-13-21-31)35(50-39(44)30-18-10-4-11-19-30)34(49-38(43)29-16-8-3-9-17-29)33(48-41)26-47-37(42)28-14-6-2-7-15-28/h2-25,33-36,41H,26H2,1H3/t33-,34+,35+,36-,41+,52?/m1/s1