[(1S)-1-[(4Z)-4-(3-methylbutylidene)-5-oxidanylidene-oxolan-2-yl]-2-oxidanyl-ethyl] nonanoate

Systemtic Name: [(1S)-1-[(4Z)-4-(3-methylbutylidene)-5-oxidanylidene-oxolan-2-yl]-2-oxidanyl-ethyl] nonanoate Openeye Name: [(1S)-2-hydroxy-1-[(4Z)-4-(3-methylbutylidene)-5-oxo-tetrahydrofuran-2-yl]ethyl] nonanoate CAS Name: nonanoic acid [(1S)-2-hydroxy-1-[(4Z)-4-(3-methylbutylidene)-5-oxo-2-oxolanyl]ethyl] ester IUPAC Name: [(1S)-2-hydroxy-1-[(4Z)-4-(3-methylbutylidene)-5-oxooxolan-2-yl]ethyl] nonanoate Traditional Name: pelargonic acid [(1S)-2-hydroxy-1-[(4Z)-5-keto-4-(3-methylbutylidene)tetrahydrofuran-2-yl]ethyl] ester Formula: C20H34O5 MolecularWeight: 354.48096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC(CO)C1CC(=CCC(C)C)C(=O)O1

Isomeric SMILES

CCCCCCCCC(=O)O[C@@H](CO)C1C/C(=C/CC(C)C)/C(=O)O1

InChI

InChI=1S/C20H34O5/c1-4-5-6-7-8-9-10-19(22)24-18(14-21)17-13-16(20(23)25-17)12-11-15(2)3/h12,15,17-18,21H,4-11,13-14H2,1-3H3/b16-12-/t17?,18-/m0/s1