4-chloranyl-1-[4-(2,2-dimethylpropyl)phenyl]butan-1-one

Systemtic Name: 4-chloranyl-1-[4-(2,2-dimethylpropyl)phenyl]butan-1-one Openeye Name: 4-chloro-1-[4-(2,2-dimethylpropyl)phenyl]butan-1-one CAS Name: 4-chloro-1-[4-(2,2-dimethylpropyl)phenyl]-1-butanone IUPAC Name: 4-chloro-1-[4-(2,2-dimethylpropyl)phenyl]butan-1-one Traditional Name: 4-chloro-1-(4-neopentylphenyl)butan-1-one Formula: C15H21ClO MolecularWeight: 252.77964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC=C(C=C1)C(=O)CCCCl

Isomeric SMILES

CC(C)(C)CC1=CC=C(C=C1)C(=O)CCCCl

InChI

InChI=1S/C15H21ClO/c1-15(2,3)11-12-6-8-13(9-7-12)14(17)5-4-10-16/h6-9H,4-5,10-11H2,1-3H3