4-[(E)-4-[6-(4-tert-butylphenyl)-3,3-dimethyl-cyclohexa-1,5-dien-1-yl]but-3-en-1-ynyl]benzoate

Systemtic Name: 4-[(E)-4-[6-(4-tert-butylphenyl)-3,3-dimethyl-cyclohexa-1,5-dien-1-yl]but-3-en-1-ynyl]benzoate Openeye Name: 4-[(E)-4-[6-(4-tert-butylphenyl)-3,3-dimethyl-cyclohexa-1,5-dien-1-yl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[6-(4-tert-butylphenyl)-3,3-dimethyl-1-cyclohexa-1,5-dienyl]but-3-en-1-ynyl]benzoate IUPAC Name: 4-[(E)-4-[6-(4-tert-butylphenyl)-3,3-dimethylcyclohexa-1,5-dien-1-yl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[6-(4-tert-butylphenyl)-3,3-dimethyl-cyclohexa-1,5-dien-1-yl]but-3-en-1-ynyl]benzoate Formula: C29H29O2- MolecularWeight: 409.53936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC=C(C(=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/C29H30O2/c1-28(2,3)25-16-14-22(15-17-25)26-18-19-29(4,5)20-24(26)9-7-6-8-21-10-12-23(13-11-21)27(30)31/h7,9-18,20H,19H2,1-5H3,(H,30,31)/p-1/b9-7+