2-butanoyl-5,5-dimethyl-3-oxidanyl-4-phenyl-cyclohex-2-en-1-one

Systemtic Name: 2-butanoyl-5,5-dimethyl-3-oxidanyl-4-phenyl-cyclohex-2-en-1-one Openeye Name: 2-butanoyl-3-hydroxy-5,5-dimethyl-4-phenyl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-5,5-dimethyl-2-(1-oxobutyl)-4-phenyl-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-3-hydroxy-5,5-dimethyl-4-phenylcyclohex-2-en-1-one Traditional Name: 2-butyryl-3-hydroxy-5,5-dimethyl-4-phenyl-cyclohex-2-en-1-one Formula: C18H22O3 MolecularWeight: 286.36548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(C(CC1=O)(C)C)C2=CC=CC=C2)O

Isomeric SMILES

CCCC(=O)C1=C(C(C(CC1=O)(C)C)C2=CC=CC=C2)O

InChI

InChI=1S/C18H22O3/c1-4-8-13(19)15-14(20)11-18(2,3)16(17(15)21)12-9-6-5-7-10-12/h5-7,9-10,16,21H,4,8,11H2,1-3H3