[(3S,4S,5R)-5,7-dimethoxy-4-[(4-methoxyphenyl)methoxy]-7-oxidanylidene-hept-1-en-3-yl] benzoate

Systemtic Name: [(3S,4S,5R)-5,7-dimethoxy-4-[(4-methoxyphenyl)methoxy]-7-oxidanylidene-hept-1-en-3-yl] benzoate Openeye Name: [(1S,2S,3R)-3,5-dimethoxy-2-[(4-methoxyphenyl)methoxy]-5-oxo-1-vinyl-pentyl] benzoate CAS Name: benzoic acid [(3S,4S,5R)-5,7-dimethoxy-4-[(4-methoxyphenyl)methoxy]-7-oxohept-1-en-3-yl] ester IUPAC Name: [(3S,4S,5R)-5,7-dimethoxy-4-[(4-methoxyphenyl)methoxy]-7-oxohept-1-en-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(1S,2R)-4-keto-2,4-dimethoxy-1-p-anisyloxy-butyl]allyl] ester Formula: C24H28O7 MolecularWeight: 428.47492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(C(CC(=O)OC)OC)C(C=C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)CO[C@@H]([C@@H](CC(=O)OC)OC)[C@H](C=C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H28O7/c1-5-20(31-24(26)18-9-7-6-8-10-18)23(21(28-3)15-22(25)29-4)30-16-17-11-13-19(27-2)14-12-17/h5-14,20-21,23H,1,15-16H2,2-4H3/t20-,21+,23+/m0/s1