[(1S)-1-[(2S,4E)-4-nonylidene-5-oxidanylidene-oxolan-2-yl]-2-phenylmethoxy-ethyl] nonanoate

Systemtic Name: [(1S)-1-[(2S,4E)-4-nonylidene-5-oxidanylidene-oxolan-2-yl]-2-phenylmethoxy-ethyl] nonanoate Openeye Name: [(1S)-2-benzyloxy-1-[(2S,4E)-4-nonylidene-5-oxo-tetrahydrofuran-2-yl]ethyl] nonanoate CAS Name: nonanoic acid [(1S)-1-[(2S,4E)-4-nonylidene-5-oxo-2-oxolanyl]-2-phenylmethoxyethyl] ester IUPAC Name: [(1S)-1-[(2S,4E)-4-nonylidene-5-oxooxolan-2-yl]-2-phenylmethoxyethyl] nonanoate Traditional Name: pelargonic acid [(1S)-2-benzoxy-1-[(2S,4E)-5-keto-4-nonylidene-tetrahydrofuran-2-yl]ethyl] ester Formula: C31H48O5 MolecularWeight: 500.70982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=C1CC(OC1=O)C(COCC2=CC=CC=C2)OC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/1\C[C@H](OC1=O)[C@H](COCC2=CC=CC=C2)OC(=O)CCCCCCCC

InChI

InChI=1S/C31H48O5/c1-3-5-7-9-11-12-17-21-27-23-28(36-31(27)33)29(25-34-24-26-19-15-14-16-20-26)35-30(32)22-18-13-10-8-6-4-2/h14-16,19-21,28-29H,3-13,17-18,22-25H2,1-2H3/b27-21+/t28-,29-/m0/s1