[(Z,2R)-5-methoxy-5-oxidanylidene-1-[(2S,3R)-3-oxidanyloxepan-2-yl]pent-3-en-2-yl] benzoate

Systemtic Name: [(Z,2R)-5-methoxy-5-oxidanylidene-1-[(2S,3R)-3-oxidanyloxepan-2-yl]pent-3-en-2-yl] benzoate Openeye Name: [(Z,1R)-1-[[(2S,3R)-3-hydroxyoxepan-2-yl]methyl]-4-methoxy-4-oxo-but-2-enyl] benzoate CAS Name: benzoic acid [(Z,2R)-1-[(2S,3R)-3-hydroxy-2-oxepanyl]-5-methoxy-5-oxopent-3-en-2-yl] ester IUPAC Name: [(Z,2R)-1-[(2S,3R)-3-hydroxyoxepan-2-yl]-5-methoxy-5-oxopent-3-en-2-yl] benzoate Traditional Name: benzoic acid [(Z,1R)-1-[[(2S,3R)-3-hydroxyoxepan-2-yl]methyl]-4-keto-4-methoxy-but-2-enyl] ester Formula: C19H24O6 MolecularWeight: 348.39026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(CC1C(CCCCO1)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C\[C@@H](C[C@H]1[C@@H](CCCCO1)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H24O6/c1-23-18(21)11-10-15(13-17-16(20)9-5-6-12-24-17)25-19(22)14-7-3-2-4-8-14/h2-4,7-8,10-11,15-17,20H,5-6,9,12-13H2,1H3/b11-10-/t15-,16+,17-/m0/s1