5-(4-methylpentyl)-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonyl chloride

Systemtic Name: 5-(4-methylpentyl)-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonyl chloride Openeye Name: 5-isohexyl-6-oxo-cyclohexa-1,3-diene-1-carbonyl chloride CAS Name: 5-(4-methylpentyl)-6-oxo-1-cyclohexa-1,3-dienecarbonyl chloride IUPAC Name: 5-(4-methylpentyl)-6-oxocyclohexa-1,3-diene-1-carbonyl chloride Traditional Name: 5-isohexyl-6-keto-cyclohexa-1,3-diene-1-carbonyl chloride Formula: C13H17ClO2 MolecularWeight: 240.72588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1C=CC=C(C1=O)C(=O)Cl

Isomeric SMILES

CC(C)CCCC1C=CC=C(C1=O)C(=O)Cl

InChI

InChI=1S/C13H17ClO2/c1-9(2)5-3-6-10-7-4-8-11(12(10)15)13(14)16/h4,7-10H,3,5-6H2,1-2H3