4-methylpentoxycarbonyl (E)-octadec-9-enoate

Systemtic Name: 4-methylpentoxycarbonyl (E)-octadec-9-enoate Openeye Name: isohexyloxycarbonyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [4-methylpentoxy(oxo)methyl] ester IUPAC Name: 4-methylpentoxycarbonyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid isohexyloxycarbonyl ester Formula: C25H46O4 MolecularWeight: 410.63034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(=O)OCCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)29-25(27)28-22-19-20-23(2)3/h11-12,23H,4-10,13-22H2,1-3H3/b12-11+