ethanoic acid; ethyl 2,2,7,8,8-pentahexyltetradecanoate

Systemtic Name: ethanoic acid; ethyl 2,2,7,8,8-pentahexyltetradecanoate Openeye Name: acetic acid; ethyl 2,2,7,8,8-pentahexyltetradecanoate CAS Name: acetic acid; 2,2,7,8,8-pentahexyltetradecanoic acid ethyl ester IUPAC Name: acetic acid; ethyl 2,2,7,8,8-pentahexyltetradecanoate Traditional Name: acetic acid; 2,2,7,8,8-pentahexylmyristic acid ethyl ester Formula: C50H100O6 MolecularWeight: 797.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCC(CCCCCC)(CCCCCC)C(=O)OCC)C(CCCCCC)(CCCCCC)CCCCCC.CC(=O)O.CC(=O)O

Isomeric SMILES

CCCCCCC(CCCCC(CCCCCC)(CCCCCC)C(=O)OCC)C(CCCCCC)(CCCCCC)CCCCCC.CC(=O)O.CC(=O)O

InChI

InChI=1S/C46H92O2.2C2H4O2/c1-8-15-21-27-35-43(45(37-29-22-16-9-2,38-30-23-17-10-3)39-31-24-18-11-4)36-28-34-42-46(44(47)48-14-7,40-32-25-19-12-5)41-33-26-20-13-6;2*1-2(3)4/h43H,8-42H2,1-7H3;2*1H3,(H,3,4)