ethanoic acid; 2,2,8,8-tetrahexyltetradecanoate

Systemtic Name: ethanoic acid; 2,2,8,8-tetrahexyltetradecanoate Openeye Name: acetic acid; 2,2,8,8-tetrahexyltetradecanoate CAS Name: acetic acid; 2,2,8,8-tetrahexyltetradecanoate IUPAC Name: acetic acid; 2,2,8,8-tetrahexyltetradecanoate Traditional Name: acetic acid; 2,2,8,8-tetrahexylmyristate Formula: C68H135O32- MolecularWeight: 1464.7803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)(CCCCCC)CCCCCC(CCCCCC)(CCCCCC)C(=O)[O-].CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O

Isomeric SMILES

CCCCCCC(CCCCCC)(CCCCCC)CCCCCC(CCCCCC)(CCCCCC)C(=O)[O-].CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O

InChI

InChI=1S/C38H76O2.15C2H4O2/c1-6-11-16-22-29-37(30-23-17-12-7-2,31-24-18-13-8-3)32-25-21-28-35-38(36(39)40,33-26-19-14-9-4)34-27-20-15-10-5;15*1-2(3)4/h6-35H2,1-5H3,(H,39,40);15*1H3,(H,3,4)/p-1