2-methylpropyl (E)-octadec-9-enoate; octyl (E)-octadec-9-enoate

Systemtic Name: 2-methylpropyl (E)-octadec-9-enoate; octyl (E)-octadec-9-enoate Openeye Name: isobutyl (E)-octadec-9-enoate; octyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 2-methylpropyl ester; (E)-9-octadecenoic acid octyl ester IUPAC Name: 2-methylpropyl (E)-octadec-9-enoate; octyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid isobutyl ester; (E)-octadec-9-enoic acid octyl ester Formula: C48H92O4 MolecularWeight: 733.24168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCC.CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCCCCC.CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C)C

InChI

InChI=1S/C26H50O2.C22H42O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h14-15H,3-13,16-25H2,1-2H3;11-12,21H,4-10,13-20H2,1-3H3/b15-14+;12-11+