ethanoic acid; ethyl 2-hexyloctanoate

Systemtic Name: ethanoic acid; ethyl 2-hexyloctanoate Openeye Name: acetic acid; ethyl 2-hexyloctanoate CAS Name: acetic acid; 2-hexyloctanoic acid ethyl ester IUPAC Name: acetic acid; ethyl 2-hexyloctanoate Traditional Name: acetic acid; 2-hexylcaprylic acid ethyl ester Formula: C20H40O6 MolecularWeight: 376.528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H32O2.2C2H4O2/c1-4-7-9-11-13-15(16(17)18-6-3)14-12-10-8-5-2;2*1-2(3)4/h15H,4-14H2,1-3H3;2*1H3,(H,3,4)