[(3R,5R,7R)-5-[(4-methoxyphenyl)methoxy]-4,4,7-trimethyl-8-oxidanylidene-oct-1-en-3-yl] benzoate

Systemtic Name: [(3R,5R,7R)-5-[(4-methoxyphenyl)methoxy]-4,4,7-trimethyl-8-oxidanylidene-oct-1-en-3-yl] benzoate Openeye Name: [(1R,3R,5R)-3-[(4-methoxyphenyl)methoxy]-2,2,5-trimethyl-6-oxo-1-vinyl-hexyl] benzoate CAS Name: benzoic acid [(3R,5R,7R)-5-[(4-methoxyphenyl)methoxy]-4,4,7-trimethyl-8-oxooct-1-en-3-yl] ester IUPAC Name: [(3R,5R,7R)-5-[(4-methoxyphenyl)methoxy]-4,4,7-trimethyl-8-oxooct-1-en-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(2R,4R)-5-keto-1,1,4-trimethyl-2-p-anisyloxy-pentyl]allyl] ester Formula: C26H32O5 MolecularWeight: 424.52928

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(C)(C)C(C=C)OC(=O)C1=CC=CC=C1)OCC2=CC=C(C=C2)OC)C=O

Isomeric SMILES

C[C@H](C[C@H](C(C)(C)[C@@H](C=C)OC(=O)C1=CC=CC=C1)OCC2=CC=C(C=C2)OC)C=O

InChI

InChI=1S/C26H32O5/c1-6-23(31-25(28)21-10-8-7-9-11-21)26(3,4)24(16-19(2)17-27)30-18-20-12-14-22(29-5)15-13-20/h6-15,17,19,23-24H,1,16,18H2,2-5H3/t19-,23-,24-/m1/s1