Products 115503-91-8
CAS 115503-91-8 is the registry number for AGN 190727. Offered by: MedChemExpress. Available pack sizes: Get quote.
3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid (CAS 115503-91-8) is a chemical compound with the molecular formula C20H22O2 and a molecular weight of 294.4 g/mol. IUPAC name: 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid. InChIKey: LIFPWEGANPHLQB-LFYBBSHMSA-N.
| Molecular formula | C20H22O2 |
|---|---|
| Molecular weight | 294.4 g/mol |
| IUPAC name | 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid |
| InChIKey | LIFPWEGANPHLQB-LFYBBSHMSA-N |
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C#CC2=CC(=CC=C2)C(=O)O |
Computed by PubChem (NCBI)
Synonyms:
Agn 190727, 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid, (E)-3-(4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-1-ynyl)benzoic acid, Benzoic acid, 3-(4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-1-ynyl)-, (E)-, orb1698684, 3-(4-(2',6',6'-trimethylcyclohex-1-enyl)but-1-yne-3-enyl)benzoic acid, 3-[(E)-4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-1-ynyl]-benzoic acid