[(2Z,4S,5S)-4-methyl-5-[(1S)-1-phenylethoxy]octa-2,7-dien-3-yl] benzoate

Systemtic Name: [(2Z,4S,5S)-4-methyl-5-[(1S)-1-phenylethoxy]octa-2,7-dien-3-yl] benzoate Openeye Name: [(1Z,2S,3S)-1-ethylidene-2-methyl-3-[(1S)-1-phenylethoxy]hex-5-enyl] benzoate CAS Name: benzoic acid [(2Z,4S,5S)-4-methyl-5-[(1S)-1-phenylethoxy]octa-2,7-dien-3-yl] ester IUPAC Name: [(2Z,4S,5S)-4-methyl-5-[(1S)-1-phenylethoxy]octa-2,7-dien-3-yl] benzoate Traditional Name: benzoic acid [(1Z,2S,3S)-1-ethylidene-2-methyl-3-[(1S)-1-phenylethoxy]hex-5-enyl] ester Formula: C24H28O3 MolecularWeight: 364.47732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28O3/c1-5-13-23(26-19(4)20-14-9-7-10-15-20)18(3)22(6-2)27-24(25)21-16-11-8-12-17-21/h5-12,14-19,23H,1,13H2,2-4H3/b22-6-/t18-,19+,23+/m1/s1