butyl octadecanoate; butyl (E)-octadec-9-enoate

Systemtic Name: butyl octadecanoate; butyl (E)-octadec-9-enoate Openeye Name: butyl octadecanoate; butyl (E)-octadec-9-enoate CAS Name: octadecanoic acid butyl ester; (E)-9-octadecenoic acid butyl ester IUPAC Name: butyl octadecanoate; butyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid butyl ester; stearic acid butyl ester Formula: C44H86O4 MolecularWeight: 679.15124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCCC.CCCCCCCCC=CCCCCCCCC(=O)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCCC.CCCCCCCC/C=C/CCCCCCCC(=O)OCCCC

InChI

InChI=1S/C22H44O2.C22H42O2/c2*1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3;12-13H,3-11,14-21H2,1-2H3/b;13-12+