[(1S)-1-[(4E)-4-nonylidene-5-oxidanylidene-oxolan-2-yl]-2-oxidanyl-ethyl] 4,4-dimethyl-3-propan-2-yl-pentanoate

Systemtic Name: [(1S)-1-[(4E)-4-nonylidene-5-oxidanylidene-oxolan-2-yl]-2-oxidanyl-ethyl] 4,4-dimethyl-3-propan-2-yl-pentanoate Openeye Name: [(1S)-2-hydroxy-1-[(4E)-4-nonylidene-5-oxo-tetrahydrofuran-2-yl]ethyl] 3-isopropyl-4,4-dimethyl-pentanoate CAS Name: 4,4-dimethyl-3-propan-2-ylpentanoic acid [(1S)-2-hydroxy-1-[(4E)-4-nonylidene-5-oxo-2-oxolanyl]ethyl] ester IUPAC Name: [(1S)-2-hydroxy-1-[(4E)-4-nonylidene-5-oxooxolan-2-yl]ethyl] 4,4-dimethyl-3-propan-2-ylpentanoate Traditional Name: 3-isopropyl-4,4-dimethyl-valeric acid [(1S)-2-hydroxy-1-[(4E)-5-keto-4-nonylidene-tetrahydrofuran-2-yl]ethyl] ester Formula: C25H44O5 MolecularWeight: 424.61386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=C1CC(OC1=O)C(CO)OC(=O)CC(C(C)C)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H44O5/c1-7-8-9-10-11-12-13-14-19-15-21(30-24(19)28)22(17-26)29-23(27)16-20(18(2)3)25(4,5)6/h14,18,20-22,26H,7-13,15-17H2,1-6H3/b19-14+/t20?,21?,22-/m0/s1