[(E,3S,6R)-2,6-dimethyl-3-oxidanyl-5-oxidanylidene-7-phenylmethoxy-hept-1-enyl] ethanoate

Systemtic Name: [(E,3S,6R)-2,6-dimethyl-3-oxidanyl-5-oxidanylidene-7-phenylmethoxy-hept-1-enyl] ethanoate Openeye Name: [(E,3S,6R)-7-benzyloxy-3-hydroxy-2,6-dimethyl-5-oxo-hept-1-enyl] acetate CAS Name: acetic acid [(E,3S,6R)-3-hydroxy-2,6-dimethyl-5-oxo-7-phenylmethoxyhept-1-enyl] ester IUPAC Name: [(E,3S,6R)-3-hydroxy-2,6-dimethyl-5-oxo-7-phenylmethoxyhept-1-enyl] acetate Traditional Name: acetic acid [(E,3S,6R)-7-benzoxy-3-hydroxy-5-keto-2,6-dimethyl-hept-1-enyl] ester Formula: C18H24O5 MolecularWeight: 320.38016

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)C(=O)CC(C(=COC(=O)C)C)O

Isomeric SMILES

C[C@H](COCC1=CC=CC=C1)C(=O)C[C@@H](/C(=C/OC(=O)C)/C)O

InChI

InChI=1S/C18H24O5/c1-13(10-22-12-16-7-5-4-6-8-16)17(20)9-18(21)14(2)11-23-15(3)19/h4-8,11,13,18,21H,9-10,12H2,1-3H3/b14-11+/t13-,18+/m1/s1