4-(5-chloranyl-2-methyl-phenyl)-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-2-methyl-but-3-yn-2-ol Openeye Name: 4-(5-chloro-2-methyl-phenyl)-2-methyl-but-3-yn-2-ol CAS Name: 4-(5-chloro-2-methylphenyl)-2-methyl-3-butyn-2-ol IUPAC Name: 4-(5-chloro-2-methylphenyl)-2-methylbut-3-yn-2-ol Traditional Name: 4-(5-chloro-2-methyl-phenyl)-2-methyl-but-3-yn-2-ol Formula: C12H13ClO MolecularWeight: 208.68402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)C#CC(C)(C)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)C#CC(C)(C)O

InChI

InChI=1S/C12H13ClO/c1-9-4-5-11(13)8-10(9)6-7-12(2,3)14/h4-5,8,14H,1-3H3