(2-chloranyl-5,5-dimethyl-hex-3-ynyl)sulfanylbenzene

Systemtic Name: (2-chloranyl-5,5-dimethyl-hex-3-ynyl)sulfanylbenzene Openeye Name: (2-chloro-5,5-dimethyl-hex-3-ynyl)sulfanylbenzene CAS Name: [(2-chloro-5,5-dimethylhex-3-ynyl)thio]benzene IUPAC Name: (2-chloro-5,5-dimethylhex-3-ynyl)sulfanylbenzene Traditional Name: [(2-chloro-5,5-dimethyl-hex-3-ynyl)thio]benzene Formula: C14H17ClS MolecularWeight: 252.80278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC(CSC1=CC=CC=C1)Cl

Isomeric SMILES

CC(C)(C)C#CC(CSC1=CC=CC=C1)Cl

InChI

InChI=1S/C14H17ClS/c1-14(2,3)10-9-12(15)11-16-13-7-5-4-6-8-13/h4-8,12H,11H2,1-3H3