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

Systemtic Name: 4-[(E)-4-[2-(4-ethylphenyl)-6,6-dimethyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid Openeye Name: 4-[(E)-4-[2-(4-ethylphenyl)-6,6-dimethyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid CAS Name: 4-[(E)-4-[2-(4-ethylphenyl)-6,6-dimethyl-1-cyclohexenyl]but-3-en-1-ynyl]benzoic acid IUPAC Name: 4-[(E)-4-[2-(4-ethylphenyl)-6,6-dimethylcyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid Traditional Name: 4-[(E)-4-[2-(4-ethylphenyl)-6,6-dimethyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoic acid Formula: C27H28O2 MolecularWeight: 384.51002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(CCC2)(C)C)C=CC#CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(CCC2)(C)C)/C=C/C#CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C27H28O2/c1-4-20-11-15-22(16-12-20)24-9-7-19-27(2,3)25(24)10-6-5-8-21-13-17-23(18-14-21)26(28)29/h6,10-18H,4,7,9,19H2,1-3H3,(H,28,29)/b10-6+