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2-hexadecyl-3-oxidanylidene-octadecanoic acid

2-hexadecyl-3-oxidanylidene-octadecanoic acid

Systemtic Name:2-hexadecyl-3-oxidanylidene-octadecanoic acid
Openeye Name:2-hexadecyl-3-oxo-octadecanoic acid
CAS Name:2-hexadecyl-3-oxooctadecanoic acid
IUPAC Name:2-hexadecyl-3-oxooctadecanoic acid
Traditional Name:2-cetyl-3-keto-stearic acid
Formula: C34H66O3
MolecularWeight: 522.88604
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)CCCCCCCCCCCCCCC)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)CCCCCCCCCCCCCCC)C(=O)O


InChI

InChI=1S/C34H66O3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32(34(36)37)33(35)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H,36,37)


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