2-ethylhexyl (E)-octadec-9-enoate; [(E)-octadec-9-enoyl] (E)-octadec-9-enoate

Systemtic Name: 2-ethylhexyl (E)-octadec-9-enoate; [(E)-octadec-9-enoyl] (E)-octadec-9-enoate Openeye Name: 2-ethylhexyl (E)-octadec-9-enoate; [(E)-octadec-9-enoyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 2-ethylhexyl ester; (E)-9-octadecenoic acid [(E)-1-oxooctadec-9-enyl] ester IUPAC Name: 2-ethylhexyl (E)-octadec-9-enoate; [(E)-octadec-9-enoyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 2-ethylhexyl ester; (E)-octadec-9-enoic acid [(E)-octadec-9-enoyl] ester Formula: C62H116O5 MolecularWeight: 941.58144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)CCCC.CCCCCCCCC=CCCCCCCCC(=O)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CCCC)CC.CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C36H66O3.C26H50O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h17-20H,3-16,21-34H2,1-2H3;14-15,25H,4-13,16-24H2,1-3H3/b19-17+,20-18+;15-14+