(E)-4-(5-chloranyl-2,2,3-trimethyl-6-methylidene-cyclohexyl)but-3-en-2-one

Systemtic Name: (E)-4-(5-chloranyl-2,2,3-trimethyl-6-methylidene-cyclohexyl)but-3-en-2-one Openeye Name: (E)-4-(5-chloro-2,2,3-trimethyl-6-methylene-cyclohexyl)but-3-en-2-one CAS Name: (E)-4-(5-chloro-2,2,3-trimethyl-6-methylenecyclohexyl)-3-buten-2-one IUPAC Name: (E)-4-(5-chloro-2,2,3-trimethyl-6-methylidenecyclohexyl)but-3-en-2-one Traditional Name: (E)-4-(5-chloro-2,2,3-trimethyl-6-methylene-cyclohexyl)but-3-en-2-one Formula: C14H21ClO MolecularWeight: 240.76894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=C)C(C1(C)C)C=CC(=O)C)Cl

Isomeric SMILES

CC1CC(C(=C)C(C1(C)C)/C=C/C(=O)C)Cl

InChI

InChI=1S/C14H21ClO/c1-9-8-13(15)11(3)12(14(9,4)5)7-6-10(2)16/h6-7,9,12-13H,3,8H2,1-2,4-5H3/b7-6+