(3-chloranyl-2,6,6-trimethyl-hept-4-yn-2-yl)benzene

Systemtic Name: (3-chloranyl-2,6,6-trimethyl-hept-4-yn-2-yl)benzene Openeye Name: (2-chloro-1,1,5,5-tetramethyl-hex-3-ynyl)benzene CAS Name: (3-chloro-2,6,6-trimethylhept-4-yn-2-yl)benzene IUPAC Name: (3-chloro-2,6,6-trimethylhept-4-yn-2-yl)benzene Traditional Name: (2-chloro-1,1,5,5-tetramethyl-hex-3-ynyl)benzene Formula: C16H21Cl MolecularWeight: 248.79094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21Cl/c1-15(2,3)12-11-14(17)16(4,5)13-9-7-6-8-10-13/h6-10,14H,1-5H3