methyl (2R,5S)-5-(1,3-dioxolan-2-yl)-2-methyl-4-oxidanylidene-1-(phenylsulfonyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (2R,5S)-5-(1,3-dioxolan-2-yl)-2-methyl-4-oxidanylidene-1-(phenylsulfonyl)cyclohexane-1-carboxylate Openeye Name: methyl (2R,5S)-1-(benzenesulfonyl)-5-(1,3-dioxolan-2-yl)-2-methyl-4-oxo-cyclohexanecarboxylate CAS Name: (2R,5S)-1-(benzenesulfonyl)-5-(1,3-dioxolan-2-yl)-2-methyl-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (2R,5S)-1-(benzenesulfonyl)-5-(1,3-dioxolan-2-yl)-2-methyl-4-oxocyclohexane-1-carboxylate Traditional Name: (2R,5S)-1-besyl-5-(1,3-dioxolan-2-yl)-4-keto-2-methyl-cyclohexanecarboxylic acid methyl ester Formula: C18H22O7S MolecularWeight: 382.42808

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(CC1(C(=O)OC)S(=O)(=O)C2=CC=CC=C2)C3OCCO3

Isomeric SMILES

C[C@@H]1CC(=O)[C@@H](CC1(C(=O)OC)S(=O)(=O)C2=CC=CC=C2)C3OCCO3

InChI

InChI=1S/C18H22O7S/c1-12-10-15(19)14(16-24-8-9-25-16)11-18(12,17(20)23-2)26(21,22)13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3/t12-,14-,18?/m1/s1