methyl 4-(6-chloranyl-5-oxidanylidene-hexan-3-yl)benzoate

Systemtic Name: methyl 4-(6-chloranyl-5-oxidanylidene-hexan-3-yl)benzoate Openeye Name: methyl 4-(4-chloro-1-ethyl-3-oxo-butyl)benzoate CAS Name: 4-(6-chloro-5-oxohexan-3-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(6-chloro-5-oxohexan-3-yl)benzoate Traditional Name: 4-(4-chloro-1-ethyl-3-keto-butyl)benzoic acid methyl ester Formula: C14H17ClO3 MolecularWeight: 268.73598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)CCl)C1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCC(CC(=O)CCl)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C14H17ClO3/c1-3-10(8-13(16)9-15)11-4-6-12(7-5-11)14(17)18-2/h4-7,10H,3,8-9H2,1-2H3