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ethanoic acid; ethyl 2,2-diheptylhexadecanoate

ethanoic acid; ethyl 2,2-diheptylhexadecanoate

Systemtic Name:ethanoic acid; ethyl 2,2-diheptylhexadecanoate
Openeye Name:acetic acid; ethyl 2,2-diheptylhexadecanoate
CAS Name:acetic acid; 2,2-diheptylhexadecanoic acid ethyl ester
IUPAC Name:acetic acid; ethyl 2,2-diheptylhexadecanoate
Traditional Name:acetic acid; 2,2-diheptylpalmitic acid ethyl ester
Formula: C42H84O12
MolecularWeight: 781.10916
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCC)(CCCCCCC)C(=O)OCC.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCC)(CCCCCCC)C(=O)OCC.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O


InChI

InChI=1S/C32H64O2.5C2H4O2/c1-5-9-12-15-16-17-18-19-20-21-24-27-30-32(31(33)34-8-4,28-25-22-13-10-6-2)29-26-23-14-11-7-3;5*1-2(3)4/h5-30H2,1-4H3;5*1H3,(H,3,4)


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