4-(2-cyanoethyl)-4-methyl-5-oxidanylidene-hexanoic acid

Systemtic Name: 4-(2-cyanoethyl)-4-methyl-5-oxidanylidene-hexanoic acid Openeye Name: 4-(2-cyanoethyl)-4-methyl-5-oxo-hexanoic acid CAS Name: 4-(2-cyanoethyl)-4-methyl-5-oxohexanoic acid IUPAC Name: 4-(2-cyanoethyl)-4-methyl-5-oxohexanoic acid Traditional Name: 4-(2-cyanoethyl)-5-keto-4-methyl-hexanoic acid Formula: C10H15NO3 MolecularWeight: 197.231

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(CCC#N)CCC(=O)O

Isomeric SMILES

CC(=O)C(C)(CCC#N)CCC(=O)O

InChI

InChI=1S/C10H15NO3/c1-8(12)10(2,5-3-7-11)6-4-9(13)14/h3-6H2,1-2H3,(H,13,14)