2-ethylhexanoate; 3,5,5-trimethylhexanoate

Systemtic Name: 2-ethylhexanoate; 3,5,5-trimethylhexanoate Openeye Name: 2-ethylhexanoate; 3,5,5-trimethylhexanoate CAS Name: 2-ethylhexanoate; 3,5,5-trimethylhexanoate IUPAC Name: 2-ethylhexanoate; 3,5,5-trimethylhexanoate Traditional Name: 2-ethylhexanoate; 3,5,5-trimethylhexanoate Formula: C17H32O4-2 MolecularWeight: 300.43358

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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)/p-2