[(1S)-1-[(2S,4Z)-4-(4-methyl-3-propan-2-yl-pentylidene)-5-oxidanylidene-oxolan-2-yl]-2-phenylmethoxy-ethyl] nonanoate

Systemtic Name: [(1S)-1-[(2S,4Z)-4-(4-methyl-3-propan-2-yl-pentylidene)-5-oxidanylidene-oxolan-2-yl]-2-phenylmethoxy-ethyl] nonanoate Openeye Name: [(1S)-2-benzyloxy-1-[(2S,4Z)-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydrofuran-2-yl]ethyl] nonanoate CAS Name: nonanoic acid [(1S)-1-[(2S,4Z)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxo-2-oxolanyl]-2-phenylmethoxyethyl] ester IUPAC Name: [(1S)-1-[(2S,4Z)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]-2-phenylmethoxyethyl] nonanoate Traditional Name: pelargonic acid [(1S)-2-benzoxy-1-[(2S,4Z)-4-(3-isopropyl-4-methyl-pentylidene)-5-keto-tetrahydrofuran-2-yl]ethyl] ester Formula: C31H48O5 MolecularWeight: 500.70982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC(COCC1=CC=CC=C1)C2CC(=CCC(C(C)C)C(C)C)C(=O)O2

Isomeric SMILES

CCCCCCCCC(=O)O[C@@H](COCC1=CC=CC=C1)[C@@H]2C/C(=C/CC(C(C)C)C(C)C)/C(=O)O2

InChI

InChI=1S/C31H48O5/c1-6-7-8-9-10-14-17-30(32)35-29(22-34-21-25-15-12-11-13-16-25)28-20-26(31(33)36-28)18-19-27(23(2)3)24(4)5/h11-13,15-16,18,23-24,27-29H,6-10,14,17,19-22H2,1-5H3/b26-18-/t28-,29-/m0/s1