[(3S,5S)-2,6-dimethyl-5-oxidanyl-heptan-3-yl] benzoate

Systemtic Name: [(3S,5S)-2,6-dimethyl-5-oxidanyl-heptan-3-yl] benzoate Openeye Name: [(1S,3S)-3-hydroxy-1-isopropyl-4-methyl-pentyl] benzoate CAS Name: benzoic acid [(3S,5S)-5-hydroxy-2,6-dimethylheptan-3-yl] ester IUPAC Name: [(3S,5S)-5-hydroxy-2,6-dimethylheptan-3-yl] benzoate Traditional Name: benzoic acid [(1S,3S)-3-hydroxy-1-isopropyl-4-methyl-pentyl] ester Formula: C16H24O3 MolecularWeight: 264.35996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O3/c1-11(2)14(17)10-15(12(3)4)19-16(18)13-8-6-5-7-9-13/h5-9,11-12,14-15,17H,10H2,1-4H3/t14-,15-/m0/s1