[(2S,3S,5S)-5-[(1S)-1-oxidanyldec-9-enyl]-2-pentyl-oxolan-3-yl] benzoate

Systemtic Name: [(2S,3S,5S)-5-[(1S)-1-oxidanyldec-9-enyl]-2-pentyl-oxolan-3-yl] benzoate Openeye Name: [(2S,3S,5S)-5-[(1S)-1-hydroxydec-9-enyl]-2-pentyl-tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2S,3S,5S)-5-[(1S)-1-hydroxydec-9-enyl]-2-pentyl-3-oxolanyl] ester IUPAC Name: [(2S,3S,5S)-5-[(1S)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-yl] benzoate Traditional Name: benzoic acid [(2S,3S,5S)-2-amyl-5-[(1S)-1-hydroxydec-9-enyl]tetrahydrofuran-3-yl] ester Formula: C26H40O4 MolecularWeight: 416.5934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(CC(O1)C(CCCCCCCC=C)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC[C@H]1[C@H](C[C@H](O1)[C@H](CCCCCCCC=C)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H40O4/c1-3-5-7-8-9-10-15-18-22(27)24-20-25(23(29-24)19-12-6-4-2)30-26(28)21-16-13-11-14-17-21/h3,11,13-14,16-17,22-25,27H,1,4-10,12,15,18-20H2,2H3/t22-,23-,24-,25-/m0/s1