[(E,2S,4R,5S,8R)-4,6,8-trimethyl-5-oxidanyl-3-oxidanylidene-undec-6-en-2-yl] benzoate

Systemtic Name: [(E,2S,4R,5S,8R)-4,6,8-trimethyl-5-oxidanyl-3-oxidanylidene-undec-6-en-2-yl] benzoate Openeye Name: [(E,1S,3R,4S,7R)-4-hydroxy-1,3,5,7-tetramethyl-2-oxo-dec-5-enyl] benzoate CAS Name: benzoic acid [(E,2S,4R,5S,8R)-5-hydroxy-4,6,8-trimethyl-3-oxoundec-6-en-2-yl] ester IUPAC Name: [(E,2S,4R,5S,8R)-5-hydroxy-4,6,8-trimethyl-3-oxoundec-6-en-2-yl] benzoate Traditional Name: benzoic acid [(E,1S,3R,4S,7R)-4-hydroxy-2-keto-1,3,5,7-tetramethyl-dec-5-enyl] ester Formula: C21H30O4 MolecularWeight: 346.4605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C=C(C)C(C(C)C(=O)C(C)OC(=O)C1=CC=CC=C1)O

Isomeric SMILES

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

InChI

InChI=1S/C21H30O4/c1-6-10-14(2)13-15(3)19(22)16(4)20(23)17(5)25-21(24)18-11-8-7-9-12-18/h7-9,11-14,16-17,19,22H,6,10H2,1-5H3/b15-13+/t14-,16-,17+,19-/m1/s1