3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid

Systemtic Name: 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid Openeye Name: 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid CAS Name: 3-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-1-ynyl]benzoic acid IUPAC Name: 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid Traditional Name: 3-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]benzoic acid Formula: C20H22O2 MolecularWeight: 294.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC#CC2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C#CC2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C20H22O2/c1-15-8-7-13-20(2,3)18(15)12-5-4-9-16-10-6-11-17(14-16)19(21)22/h5-6,10-12,14H,7-8,13H2,1-3H3,(H,21,22)/b12-5+