4-ethyl-2-oxidanylidene-octanoate; methanol

Systemtic Name: 4-ethyl-2-oxidanylidene-octanoate; methanol Openeye Name: 4-ethyl-2-oxo-octanoate; methanol CAS Name: 4-ethyl-2-oxooctanoate; methanol IUPAC Name: 4-ethyl-2-oxooctanoate; methanol Traditional Name: 4-ethyl-2-keto-caprylate; methanol Formula: C11H21O4- MolecularWeight: 217.28204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18O3.CH4O/c1-3-5-6-8(4-2)7-9(11)10(12)13;1-2/h8H,3-7H2,1-2H3,(H,12,13);2H,1H3/p-1