2-ethylhexanoic acid; 3,5,5-trimethylhexanoic acid

Systemtic Name: 2-ethylhexanoic acid; 3,5,5-trimethylhexanoic acid Openeye Name: 2-ethylhexanoic acid; 3,5,5-trimethylhexanoic acid CAS Name: 2-ethylhexanoic acid; 3,5,5-trimethylhexanoic acid IUPAC Name: 2-ethylhexanoic acid; 3,5,5-trimethylhexanoic acid Traditional Name: 2-ethylhexanoic acid; 3,5,5-trimethylhexanoic acid Formula: C17H34O4 MolecularWeight: 302.44946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)O.CC(CC(=O)O)CC(C)(C)C

Isomeric SMILES

CCCCC(CC)C(=O)O.CC(CC(=O)O)CC(C)(C)C

InChI

InChI=1S/C9H18O2.C8H16O2/c1-7(5-8(10)11)6-9(2,3)4;1-3-5-6-7(4-2)8(9)10/h7H,5-6H2,1-4H3,(H,10,11);7H,3-6H2,1-2H3,(H,9,10)