2-chloranyl-2-cyano-4-methanoyl-decanoate

Systemtic Name: 2-chloranyl-2-cyano-4-methanoyl-decanoate Openeye Name: 2-chloro-2-cyano-4-formyl-decanoate CAS Name: 2-chloro-2-cyano-4-formyldecanoate IUPAC Name: 2-chloro-2-cyano-4-formyldecanoate Traditional Name: 2-chloro-2-cyano-4-formyl-caprate Formula: C12H17ClNO3- MolecularWeight: 258.72128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(C#N)(C(=O)[O-])Cl)C=O

Isomeric SMILES

CCCCCCC(CC(C#N)(C(=O)[O-])Cl)C=O

InChI

InChI=1S/C12H18ClNO3/c1-2-3-4-5-6-10(8-15)7-12(13,9-14)11(16)17/h8,10H,2-7H2,1H3,(H,16,17)/p-1