[(2R,4S,5S,6S)-4,6-dimethyl-5-oxidanyl-3-oxidanylidene-octan-2-yl] benzoate

Systemtic Name: [(2R,4S,5S,6S)-4,6-dimethyl-5-oxidanyl-3-oxidanylidene-octan-2-yl] benzoate Openeye Name: [(1R,3S,4S,5S)-4-hydroxy-1,3,5-trimethyl-2-oxo-heptyl] benzoate CAS Name: benzoic acid [(2R,4S,5S,6S)-5-hydroxy-4,6-dimethyl-3-oxooctan-2-yl] ester IUPAC Name: [(2R,4S,5S,6S)-5-hydroxy-4,6-dimethyl-3-oxooctan-2-yl] benzoate Traditional Name: benzoic acid [(1R,3S,4S,5S)-4-hydroxy-2-keto-1,3,5-trimethyl-heptyl] ester Formula: C17H24O4 MolecularWeight: 292.37006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O4/c1-5-11(2)15(18)12(3)16(19)13(4)21-17(20)14-9-7-6-8-10-14/h6-13,15,18H,5H2,1-4H3/t11-,12-,13+,15-/m0/s1