4,4,4-tris(chloranyl)-3,3-dimethyl-but-1-yne

Systemtic Name: 4,4,4-tris(chloranyl)-3,3-dimethyl-but-1-yne Openeye Name: 4,4,4-trichloro-3,3-dimethyl-but-1-yne CAS Name: 4,4,4-trichloro-3,3-dimethyl-1-butyne IUPAC Name: 4,4,4-trichloro-3,3-dimethylbut-1-yne Traditional Name: 4,4,4-trichloro-3,3-dimethyl-but-1-yne Formula: C6H7Cl3 MolecularWeight: 185.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)C(Cl)(Cl)Cl

Isomeric SMILES

CC(C)(C#C)C(Cl)(Cl)Cl

InChI

InChI=1S/C6H7Cl3/c1-4-5(2,3)6(7,8)9/h1H,2-3H3