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

Systemtic Name: 4-[(E)-4-(3,3-dimethyl-6-oxidanylidene-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-(3,3-dimethyl-6-oxo-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-(3,3-dimethyl-6-oxo-1-cyclohexenyl)but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-(3,3-dimethyl-6-oxocyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-(6-keto-3,3-dimethyl-cyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid Formula: C19H18O3 MolecularWeight: 294.34442

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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)/b6-4+