4-[(E)-4-(2,2-dimethyl-6-oxidanylidene-cyclohexyl)but-3-en-1-ynyl]benzoate

Systemtic Name: 4-[(E)-4-(2,2-dimethyl-6-oxidanylidene-cyclohexyl)but-3-en-1-ynyl]benzoate Openeye Name: 4-[(E)-4-(2,2-dimethyl-6-oxo-cyclohexyl)but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-(2,2-dimethyl-6-oxocyclohexyl)but-3-en-1-ynyl]benzoate IUPAC Name: 4-[(E)-4-(2,2-dimethyl-6-oxocyclohexyl)but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-(6-keto-2,2-dimethyl-cyclohexyl)but-3-en-1-ynyl]benzoate Formula: C19H19O3- MolecularWeight: 295.35236

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=O)C1C=CC#CC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C19H20O3/c1-19(2)13-5-8-17(20)16(19)7-4-3-6-14-9-11-15(12-10-14)18(21)22/h4,7,9-12,16H,5,8,13H2,1-2H3,(H,21,22)/p-1/b7-4+