1-[4-(2-chloranyl-3-methyl-butyl)sulfanylphenyl]propan-1-one

Systemtic Name: 1-[4-(2-chloranyl-3-methyl-butyl)sulfanylphenyl]propan-1-one Openeye Name: 1-[4-(2-chloro-3-methyl-butyl)sulfanylphenyl]propan-1-one CAS Name: 1-[4-[(2-chloro-3-methylbutyl)thio]phenyl]-1-propanone IUPAC Name: 1-[4-(2-chloro-3-methylbutyl)sulfanylphenyl]propan-1-one Traditional Name: 1-[4-[(2-chloro-3-methyl-butyl)thio]phenyl]propan-1-one Formula: C14H19ClOS MolecularWeight: 270.81806

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)SCC(C(C)C)Cl

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)SCC(C(C)C)Cl

InChI

InChI=1S/C14H19ClOS/c1-4-14(16)11-5-7-12(8-6-11)17-9-13(15)10(2)3/h5-8,10,13H,4,9H2,1-3H3