(1-chloranyl-2-methyl-1-oxidanylidene-propan-2-yl) octanoate

Systemtic Name: (1-chloranyl-2-methyl-1-oxidanylidene-propan-2-yl) octanoate Openeye Name: (2-chloro-1,1-dimethyl-2-oxo-ethyl) octanoate CAS Name: octanoic acid (1-chloro-2-methyl-1-oxopropan-2-yl) ester IUPAC Name: (1-chloro-2-methyl-1-oxopropan-2-yl) octanoate Traditional Name: caprylic acid (2-chloro-2-keto-1,1-dimethyl-ethyl) ester Formula: C12H21ClO3 MolecularWeight: 248.74634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C)(C)C(=O)Cl

Isomeric SMILES

CCCCCCCC(=O)OC(C)(C)C(=O)Cl

InChI

InChI=1S/C12H21ClO3/c1-4-5-6-7-8-9-10(14)16-12(2,3)11(13)15/h4-9H2,1-3H3