3-methylbutyl (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: 3-methylbutyl (E)-12-oxidanyloctadec-9-enoate Openeye Name: isopentyl (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid isoamyl ester Formula: C23H44O3 MolecularWeight: 368.59366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCCC(C)C)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OCCC(C)C)O

InChI

InChI=1S/C23H44O3/c1-4-5-6-13-16-22(24)17-14-11-9-7-8-10-12-15-18-23(25)26-20-19-21(2)3/h11,14,21-22,24H,4-10,12-13,15-20H2,1-3H3/b14-11+