[(2S,4R)-4-(hydroxymethyl)-3-oxidanylidene-hexan-2-yl] benzoate

Systemtic Name: [(2S,4R)-4-(hydroxymethyl)-3-oxidanylidene-hexan-2-yl] benzoate Openeye Name: [(1S,3R)-3-(hydroxymethyl)-1-methyl-2-oxo-pentyl] benzoate CAS Name: benzoic acid [(2S,4R)-4-(hydroxymethyl)-3-oxohexan-2-yl] ester IUPAC Name: [(2S,4R)-4-(hydroxymethyl)-3-oxohexan-2-yl] benzoate Traditional Name: benzoic acid [(1S,3R)-2-keto-1-methyl-3-methylol-pentyl] ester Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)C(=O)C(C)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC[C@H](CO)C(=O)[C@H](C)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H18O4/c1-3-11(9-15)13(16)10(2)18-14(17)12-7-5-4-6-8-12/h4-8,10-11,15H,3,9H2,1-2H3/t10-,11+/m0/s1