[(E,2S,3S)-8-ethoxy-3,7-dimethyl-2-oxidanyl-8-oxidanylidene-oct-6-enyl] benzoate

Systemtic Name: [(E,2S,3S)-8-ethoxy-3,7-dimethyl-2-oxidanyl-8-oxidanylidene-oct-6-enyl] benzoate Openeye Name: [(E,2S,3S)-8-ethoxy-2-hydroxy-3,7-dimethyl-8-oxo-oct-6-enyl] benzoate CAS Name: benzoic acid [(E,2S,3S)-8-ethoxy-2-hydroxy-3,7-dimethyl-8-oxooct-6-enyl] ester IUPAC Name: [(E,2S,3S)-8-ethoxy-2-hydroxy-3,7-dimethyl-8-oxooct-6-enyl] benzoate Traditional Name: benzoic acid [(E,2S,3S)-8-ethoxy-2-hydroxy-8-keto-3,7-dimethyl-oct-6-enyl] ester Formula: C19H26O5 MolecularWeight: 334.40674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CCCC(C)C(COC(=O)C1=CC=CC=C1)O)C

Isomeric SMILES

CCOC(=O)/C(=C/CC[C@H](C)[C@@H](COC(=O)C1=CC=CC=C1)O)/C

InChI

InChI=1S/C19H26O5/c1-4-23-18(21)15(3)10-8-9-14(2)17(20)13-24-19(22)16-11-6-5-7-12-16/h5-7,10-12,14,17,20H,4,8-9,13H2,1-3H3/b15-10+/t14-,17+/m0/s1