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

Systemtic Name: 4-[(E)-4-[6,6-dimethyl-2-(4-methylphenyl)cyclohexen-1-yl]but-3-en-1-ynyl]benzoate Openeye Name: 4-[(E)-4-[6,6-dimethyl-2-(p-tolyl)cyclohexen-1-yl]but-3-en-1-ynyl]benzoate CAS Name: 4-[(E)-4-[6,6-dimethyl-2-(4-methylphenyl)-1-cyclohexenyl]but-3-en-1-ynyl]benzoate IUPAC Name: 4-[(E)-4-[6,6-dimethyl-2-(4-methylphenyl)cyclohexen-1-yl]but-3-en-1-ynyl]benzoate Traditional Name: 4-[(E)-4-[6,6-dimethyl-2-(p-tolyl)cyclohexen-1-yl]but-3-en-1-ynyl]benzoate Formula: C26H25O2- MolecularWeight: 369.4755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(CCC2)(C)C)C=CC#CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(CCC2)(C)C)/C=C/C#CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C26H26O2/c1-19-10-14-21(15-11-19)23-8-6-18-26(2,3)24(23)9-5-4-7-20-12-16-22(17-13-20)25(27)28/h5,9-17H,6,8,18H2,1-3H3,(H,27,28)/p-1/b9-5+