4-[(E)-4-(3,3-dimethyl-6-oxidanylidene-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate

Systemtic Name: 4-[(E)-4-(3,3-dimethyl-6-oxidanylidene-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate Openeye Name: 4-[(E)-4-(3,3-dimethyl-6-oxo-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-(3,3-dimethyl-6-oxo-1-cyclohexenyl)but-3-en-1-ynyl]benzoate IUPAC Name: 4-[(E)-4-(3,3-dimethyl-6-oxocyclohexen-1-yl)but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-(6-keto-3,3-dimethyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoate Formula: C19H17O3- MolecularWeight: 293.33648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C(=C1)C=CC#CC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1(CCC(=O)C(=C1)/C=C/C#CC2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C19H18O3/c1-19(2)12-11-17(20)16(13-19)6-4-3-5-14-7-9-15(10-8-14)18(21)22/h4,6-10,13H,11-12H2,1-2H3,(H,21,22)/p-1/b6-4+