[(E,4R,5R)-1-ethoxycarbonyloxy-3,5-dimethyl-6-oxidanylidene-oct-2-en-4-yl] benzoate

Systemtic Name: [(E,4R,5R)-1-ethoxycarbonyloxy-3,5-dimethyl-6-oxidanylidene-oct-2-en-4-yl] benzoate Openeye Name: [(1R,2R)-1-[(E)-3-ethoxycarbonyloxy-1-methyl-prop-1-enyl]-2-methyl-3-oxo-pentyl] benzoate CAS Name: benzoic acid [(E,4R,5R)-1-ethoxycarbonyloxy-3,5-dimethyl-6-oxooct-2-en-4-yl] ester IUPAC Name: [(E,4R,5R)-1-ethoxycarbonyloxy-3,5-dimethyl-6-oxooct-2-en-4-yl] benzoate Traditional Name: benzoic acid [(E,1R)-4-carbethoxyoxy-1-[(1R)-2-keto-1-methyl-butyl]-2-methyl-but-2-enyl] ester Formula: C20H26O6 MolecularWeight: 362.41684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)[C@H](C)[C@H](/C(=C/COC(=O)OCC)/C)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C20H26O6/c1-5-17(21)15(4)18(14(3)12-13-25-20(23)24-6-2)26-19(22)16-10-8-7-9-11-16/h7-12,15,18H,5-6,13H2,1-4H3/b14-12+/t15-,18-/m0/s1