11-methyl-1-(11-methyldodecoxy)dodecane; (E)-octadec-9-enoic acid

Systemtic Name: 11-methyl-1-(11-methyldodecoxy)dodecane; (E)-octadec-9-enoic acid Openeye Name: 11-methyl-1-(11-methyldodecoxy)dodecane; (E)-octadec-9-enoic acid CAS Name: 11-methyl-1-(11-methyldodecoxy)dodecane; (E)-9-octadecenoic acid IUPAC Name: 11-methyl-1-(11-methyldodecoxy)dodecane; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; 11-methyl-1-(11-methyldodecoxy)dodecane Formula: C44H88O3 MolecularWeight: 665.16772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CC(C)CCCCCCCCCCOCCCCCCCCCCC(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.CC(C)CCCCCCCCCCOCCCCCCCCCCC(C)C

InChI

InChI=1S/C26H54O.C18H34O2/c1-25(2)21-17-13-9-5-7-11-15-19-23-27-24-20-16-12-8-6-10-14-18-22-26(3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h25-26H,5-24H2,1-4H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b;10-9+