2-[(1S,2S,3R)-2-(hydroxymethyl)-3-methyl-4-oxidanylidene-cyclopentyl]ethyl benzoate

Systemtic Name: 2-[(1S,2S,3R)-2-(hydroxymethyl)-3-methyl-4-oxidanylidene-cyclopentyl]ethyl benzoate Openeye Name: 2-[(1S,2S,3R)-2-(hydroxymethyl)-3-methyl-4-oxo-cyclopentyl]ethyl benzoate CAS Name: benzoic acid 2-[(1S,2S,3R)-2-(hydroxymethyl)-3-methyl-4-oxocyclopentyl]ethyl ester IUPAC Name: 2-[(1S,2S,3R)-2-(hydroxymethyl)-3-methyl-4-oxocyclopentyl]ethyl benzoate Traditional Name: benzoic acid 2-[(1S,2S,3R)-4-keto-3-methyl-2-methylol-cyclopentyl]ethyl ester Formula: C16H20O4 MolecularWeight: 276.3276

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC1=O)CCOC(=O)C2=CC=CC=C2)CO

Isomeric SMILES

C[C@@H]1[C@H]([C@H](CC1=O)CCOC(=O)C2=CC=CC=C2)CO

InChI

InChI=1S/C16H20O4/c1-11-14(10-17)13(9-15(11)18)7-8-20-16(19)12-5-3-2-4-6-12/h2-6,11,13-14,17H,7-10H2,1H3/t11-,13+,14-/m1/s1