7,7-dimethyloctanoic acid; 2-ethylhexanoate

Systemtic Name: 7,7-dimethyloctanoic acid; 2-ethylhexanoate Openeye Name: 7,7-dimethyloctanoic acid; 2-ethylhexanoate CAS Name: 7,7-dimethyloctanoic acid; 2-ethylhexanoate IUPAC Name: 7,7-dimethyloctanoic acid; 2-ethylhexanoate Traditional Name: 7,7-dimethylcaprylic acid; 2-ethylhexanoate Formula: C18H35O4- MolecularWeight: 315.4681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20O2.C8H16O2/c1-10(2,3)8-6-4-5-7-9(11)12;1-3-5-6-7(4-2)8(9)10/h4-8H2,1-3H3,(H,11,12);7H,3-6H2,1-2H3,(H,9,10)/p-1