1-chloranyl-2-(3,3-dimethylbut-1-ynyl)benzene; 1-chloranyl-2-hept-1-ynyl-benzene

Systemtic Name: 1-chloranyl-2-(3,3-dimethylbut-1-ynyl)benzene; 1-chloranyl-2-hept-1-ynyl-benzene Openeye Name: 1-chloro-2-(3,3-dimethylbut-1-ynyl)benzene; 1-chloro-2-hept-1-ynyl-benzene CAS Name: 1-chloro-2-(3,3-dimethylbut-1-ynyl)benzene; 1-chloro-2-hept-1-ynylbenzene IUPAC Name: 1-chloro-2-(3,3-dimethylbut-1-ynyl)benzene; 1-chloro-2-hept-1-ynylbenzene Traditional Name: 1-chloro-2-(3,3-dimethylbut-1-ynyl)benzene; 1-chloro-2-hept-1-ynyl-benzene Formula: C25H28Cl2 MolecularWeight: 399.39582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=CC=CC=C1Cl.CC(C)(C)C#CC1=CC=CC=C1Cl

Isomeric SMILES

CCCCCC#CC1=CC=CC=C1Cl.CC(C)(C)C#CC1=CC=CC=C1Cl

InChI

InChI=1S/C13H15Cl.C12H13Cl/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14;1-12(2,3)9-8-10-6-4-5-7-11(10)13/h7-8,10-11H,2-5H2,1H3;4-7H,1-3H3