[(E,2S,4R,5S)-8-ethoxycarbonyloxy-4,6-dimethyl-5-oxidanyl-3-oxidanylidene-oct-6-en-2-yl] benzoate

Systemtic Name: [(E,2S,4R,5S)-8-ethoxycarbonyloxy-4,6-dimethyl-5-oxidanyl-3-oxidanylidene-oct-6-en-2-yl] benzoate Openeye Name: [(E,1S,3R,4S)-7-ethoxycarbonyloxy-4-hydroxy-1,3,5-trimethyl-2-oxo-hept-5-enyl] benzoate CAS Name: benzoic acid [(E,2S,4R,5S)-8-ethoxycarbonyloxy-5-hydroxy-4,6-dimethyl-3-oxooct-6-en-2-yl] ester IUPAC Name: [(E,2S,4R,5S)-8-ethoxycarbonyloxy-5-hydroxy-4,6-dimethyl-3-oxooct-6-en-2-yl] benzoate Traditional Name: benzoic acid [(E,1S,3R,4S)-7-carbethoxyoxy-4-hydroxy-2-keto-1,3,5-trimethyl-hept-5-enyl] ester Formula: C20H26O7 MolecularWeight: 378.41624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O7/c1-5-25-20(24)26-12-11-13(2)17(21)14(3)18(22)15(4)27-19(23)16-9-7-6-8-10-16/h6-11,14-15,17,21H,5,12H2,1-4H3/b13-11+/t14-,15+,17-/m1/s1