[(3S,5S,6S)-2,6-dimethyl-4-methylidene-5-oxidanyl-oct-7-en-3-yl] benzoate

Systemtic Name: [(3S,5S,6S)-2,6-dimethyl-4-methylidene-5-oxidanyl-oct-7-en-3-yl] benzoate Openeye Name: [(1S,3S,4S)-3-hydroxy-1-isopropyl-4-methyl-2-methylene-hex-5-enyl] benzoate CAS Name: benzoic acid [(3S,5S,6S)-5-hydroxy-2,6-dimethyl-4-methyleneoct-7-en-3-yl] ester IUPAC Name: [(3S,5S,6S)-5-hydroxy-2,6-dimethyl-4-methylideneoct-7-en-3-yl] benzoate Traditional Name: benzoic acid [(1S,3S,4S)-3-hydroxy-1-isopropyl-4-methyl-2-methylene-hex-5-enyl] ester Formula: C18H24O3 MolecularWeight: 288.38136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24O3/c1-6-13(4)16(19)14(5)17(12(2)3)21-18(20)15-10-8-7-9-11-15/h6-13,16-17,19H,1,5H2,2-4H3/t13-,16-,17-/m0/s1