methyl 2-[(2R,3R,4S)-2-hexyl-3,4-dimethyl-5-oxidanylidene-4-(phenylsulfonyl)oxolan-3-yl]ethanoate

Systemtic Name: methyl 2-[(2R,3R,4S)-2-hexyl-3,4-dimethyl-5-oxidanylidene-4-(phenylsulfonyl)oxolan-3-yl]ethanoate Openeye Name: methyl 2-[(2R,3R,4S)-4-(benzenesulfonyl)-2-hexyl-3,4-dimethyl-5-oxo-tetrahydrofuran-3-yl]acetate CAS Name: 2-[(2R,3R,4S)-4-(benzenesulfonyl)-2-hexyl-3,4-dimethyl-5-oxo-3-oxolanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R,3R,4S)-4-(benzenesulfonyl)-2-hexyl-3,4-dimethyl-5-oxooxolan-3-yl]acetate Traditional Name: 2-[(2R,3R,4S)-4-besyl-2-hexyl-5-keto-3,4-dimethyl-tetrahydrofuran-3-yl]acetic acid methyl ester Formula: C21H30O6S MolecularWeight: 410.5243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C(C(=O)O1)(C)S(=O)(=O)C2=CC=CC=C2)(C)CC(=O)OC

Isomeric SMILES

CCCCCC[C@@H]1[C@@]([C@](C(=O)O1)(C)S(=O)(=O)C2=CC=CC=C2)(C)CC(=O)OC

InChI

InChI=1S/C21H30O6S/c1-5-6-7-11-14-17-20(2,15-18(22)26-4)21(3,19(23)27-17)28(24,25)16-12-9-8-10-13-16/h8-10,12-13,17H,5-7,11,14-15H2,1-4H3/t17-,20-,21-/m1/s1