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12-methyloctadecanoic acid; octadecanoic acid

12-methyloctadecanoic acid; octadecanoic acid

Systemtic Name:12-methyloctadecanoic acid; octadecanoic acid
Openeye Name:12-methyloctadecanoic acid; stearic acid
CAS Name:12-methyloctadecanoic acid; octadecanoic acid
IUPAC Name:12-methyloctadecanoic acid; octadecanoic acid
Traditional Name:12-methylstearic acid; stearic acid
Formula: C37H74O4
MolecularWeight: 582.98106
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCC(C)CCCCCCCCCCC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCC(C)CCCCCCCCCCC(=O)O


InChI

InChI=1S/C19H38O2.C18H36O2/c1-3-4-5-12-15-18(2)16-13-10-8-6-7-9-11-14-17-19(20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h18H,3-17H2,1-2H3,(H,20,21);2-17H2,1H3,(H,19,20)


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