[(E,2R,4S,5S)-9-[(4-methoxyphenyl)methoxy]-4-methyl-5-oxidanyl-3-oxidanylidene-non-6-en-2-yl] benzoate

Systemtic Name: [(E,2R,4S,5S)-9-[(4-methoxyphenyl)methoxy]-4-methyl-5-oxidanyl-3-oxidanylidene-non-6-en-2-yl] benzoate Openeye Name: [(E,1R,3S,4S)-4-hydroxy-8-[(4-methoxyphenyl)methoxy]-1,3-dimethyl-2-oxo-oct-5-enyl] benzoate CAS Name: benzoic acid [(E,2R,4S,5S)-5-hydroxy-9-[(4-methoxyphenyl)methoxy]-4-methyl-3-oxonon-6-en-2-yl] ester IUPAC Name: [(E,2R,4S,5S)-5-hydroxy-9-[(4-methoxyphenyl)methoxy]-4-methyl-3-oxonon-6-en-2-yl] benzoate Traditional Name: benzoic acid [(E,1R,3S,4S)-4-hydroxy-2-keto-1,3-dimethyl-8-p-anisyloxy-oct-5-enyl] ester Formula: C25H30O6 MolecularWeight: 426.5021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C=CCCOCC1=CC=C(C=C1)OC)O)C(=O)C(C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@H](/C=C/CCOCC1=CC=C(C=C1)OC)O)C(=O)[C@@H](C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H30O6/c1-18(24(27)19(2)31-25(28)21-9-5-4-6-10-21)23(26)11-7-8-16-30-17-20-12-14-22(29-3)15-13-20/h4-7,9-15,18-19,23,26H,8,16-17H2,1-3H3/b11-7+/t18-,19+,23-/m0/s1