4-[(E)-4-[2-(4-tert-butylphenyl)-6,6-dimethyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoate

Systemtic Name: 4-[(E)-4-[2-(4-tert-butylphenyl)-6,6-dimethyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoate Openeye Name: 4-[(E)-4-[2-(4-tert-butylphenyl)-6,6-dimethyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[2-(4-tert-butylphenyl)-6,6-dimethyl-1-cyclohexenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 4-[(E)-4-[2-(4-tert-butylphenyl)-6,6-dimethylcyclohexen-1-yl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[2-(4-tert-butylphenyl)-6,6-dimethyl-cyclohexen-1-yl]but-3-en-1-ynyl]benzoate Formula: C29H31O2- MolecularWeight: 411.55524

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=C1C=CC#CC2=CC=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1(CCCC(=C1/C=C/C#CC2=CC=C(C=C2)C(=O)[O-])C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C29H32O2/c1-28(2,3)24-18-16-22(17-19-24)25-10-8-20-29(4,5)26(25)11-7-6-9-21-12-14-23(15-13-21)27(30)31/h7,11-19H,8,10,20H2,1-5H3,(H,30,31)/p-1/b11-7+