5,7,7-trimethyloctanoate

Systemtic Name: 5,7,7-trimethyloctanoate Openeye Name: 5,7,7-trimethyloctanoate CAS Name: 5,7,7-trimethyloctanoate IUPAC Name: 5,7,7-trimethyloctanoate Traditional Name: 5,7,7-trimethylcaprylate Formula: C11H21O2- MolecularWeight: 185.28324

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=O)[O-])CC(C)(C)C

Isomeric SMILES

CC(CCCC(=O)[O-])CC(C)(C)C

InChI

InChI=1S/C11H22O2/c1-9(8-11(2,3)4)6-5-7-10(12)13/h9H,5-8H2,1-4H3,(H,12,13)/p-1