[(2R,3S,4R)-4-(1,3-dithian-2-yl)-4-ethanoyl-3-methyl-5-oxidanylidene-oxolan-2-yl] benzoate

Systemtic Name: [(2R,3S,4R)-4-(1,3-dithian-2-yl)-4-ethanoyl-3-methyl-5-oxidanylidene-oxolan-2-yl] benzoate Openeye Name: [(2R,3S,4R)-4-acetyl-4-(1,3-dithian-2-yl)-3-methyl-5-oxo-tetrahydrofuran-2-yl] benzoate CAS Name: benzoic acid [(2R,3S,4R)-4-acetyl-4-(1,3-dithian-2-yl)-3-methyl-5-oxo-2-oxolanyl] ester IUPAC Name: [(2R,3S,4R)-4-acetyl-4-(1,3-dithian-2-yl)-3-methyl-5-oxooxolan-2-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4R)-4-acetyl-4-(1,3-dithian-2-yl)-5-keto-3-methyl-tetrahydrofuran-2-yl] ester Formula: C18H20O5S2 MolecularWeight: 380.4784

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)C1(C2SCCCS2)C(=O)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1[C@@H](OC(=O)[C@]1(C2SCCCS2)C(=O)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20O5S2/c1-11-15(22-14(20)13-7-4-3-5-8-13)23-16(21)18(11,12(2)19)17-24-9-6-10-25-17/h3-5,7-8,11,15,17H,6,9-10H2,1-2H3/t11-,15-,18-/m1/s1