butyl (E)-octadec-9-enoate; octadecyl 2-hexyloctadecanoate

Systemtic Name: butyl (E)-octadec-9-enoate; octadecyl 2-hexyloctadecanoate Openeye Name: butyl (E)-octadec-9-enoate; octadecyl 2-hexyloctadecanoate CAS Name: 2-hexyloctadecanoic acid octadecyl ester; (E)-9-octadecenoic acid butyl ester IUPAC Name: butyl (E)-octadec-9-enoate; octadecyl 2-hexyloctadecanoate Traditional Name: 2-hexylstearic acid stearyl ester; (E)-octadec-9-enoic acid butyl ester Formula: C64H126O4 MolecularWeight: 959.68284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCCCCCCCCCC.CCCCCCCCC=CCCCCCCCC(=O)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CCCCCC)CCCCCCCCCCCCCCCC.CCCCCCCC/C=C/CCCCCCCC(=O)OCCCC

InChI

InChI=1S/C42H84O2.C22H42O2/c1-4-7-10-13-15-17-19-21-23-24-26-28-30-32-34-37-40-44-42(43)41(38-35-12-9-6-3)39-36-33-31-29-27-25-22-20-18-16-14-11-8-5-2;1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h41H,4-40H2,1-3H3;12-13H,3-11,14-21H2,1-2H3/b;13-12+