ethanoic acid; ethyl 2,2-dihexyloctanoate

Systemtic Name: ethanoic acid; ethyl 2,2-dihexyloctanoate Openeye Name: acetic acid; ethyl 2,2-dihexyloctanoate CAS Name: acetic acid; 2,2-dihexyloctanoic acid ethyl ester IUPAC Name: acetic acid; ethyl 2,2-dihexyloctanoate Traditional Name: acetic acid; 2,2-dihexylcaprylic acid ethyl ester Formula: C28H56O8 MolecularWeight: 520.73944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H44O2.3C2H4O2/c1-5-9-12-15-18-22(21(23)24-8-4,19-16-13-10-6-2)20-17-14-11-7-3;3*1-2(3)4/h5-20H2,1-4H3;3*1H3,(H,3,4)