pentan-2-yl (E)-octadec-9-enoate

Systemtic Name: pentan-2-yl (E)-octadec-9-enoate Openeye Name: 1-methylbutyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 1-methylbutyl ester Formula: C23H44O2 MolecularWeight: 352.59426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C)CCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(C)CCC

InChI

InChI=1S/C23H44O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(24)25-22(3)20-5-2/h12-13,22H,4-11,14-21H2,1-3H3/b13-12+