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12-acetyloxy-2-octan-3-yl-octadecanoic acid

12-acetyloxy-2-octan-3-yl-octadecanoic acid

Systemtic Name:12-acetyloxy-2-octan-3-yl-octadecanoic acid
Openeye Name:12-acetoxy-2-(1-ethylhexyl)octadecanoic acid
CAS Name:12-acetyloxy-2-octan-3-yloctadecanoic acid
IUPAC Name:12-acetyloxy-2-octan-3-yloctadecanoic acid
Traditional Name:12-acetoxy-2-(1-ethylhexyl)stearic acid
Formula: C28H54O4
MolecularWeight: 454.72596
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCC(C(CC)CCCCC)C(=O)O)OC(=O)C


Isomeric SMILES

CCCCCCC(CCCCCCCCCC(C(CC)CCCCC)C(=O)O)OC(=O)C


InChI

InChI=1S/C28H54O4/c1-5-8-10-17-21-26(32-24(4)29)22-18-14-12-11-13-15-19-23-27(28(30)31)25(7-3)20-16-9-6-2/h25-27H,5-23H2,1-4H3,(H,30,31)


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