ethanoic acid; ethyl 2,2,9-triheptylhexadecanoate

Systemtic Name: ethanoic acid; ethyl 2,2,9-triheptylhexadecanoate Openeye Name: acetic acid; ethyl 2,2,9-triheptylhexadecanoate CAS Name: acetic acid; 2,2,9-triheptylhexadecanoic acid ethyl ester IUPAC Name: acetic acid; ethyl 2,2,9-triheptylhexadecanoate Traditional Name: acetic acid; 2,2,9-triheptylpalmitic acid ethyl ester Formula: C41H82O4 MolecularWeight: 639.08738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H78O2.C2H4O2/c1-6-11-15-19-25-31-37(32-26-20-16-12-7-2)33-27-21-24-30-36-39(38(40)41-10-5,34-28-22-17-13-8-3)35-29-23-18-14-9-4;1-2(3)4/h37H,6-36H2,1-5H3;1H3,(H,3,4)