2-(4-methylphenyl)-3-[5-(4-methylphenyl)pent-4-ynyl]-1-phenyl-cycloprop-2-ene-1-carboxylic acid

Systemtic Name: 2-(4-methylphenyl)-3-[5-(4-methylphenyl)pent-4-ynyl]-1-phenyl-cycloprop-2-ene-1-carboxylic acid Openeye Name: 1-phenyl-2-(p-tolyl)-3-[5-(p-tolyl)pent-4-ynyl]cycloprop-2-ene-1-carboxylic acid CAS Name: 2-(4-methylphenyl)-3-[5-(4-methylphenyl)pent-4-ynyl]-1-phenyl-1-cycloprop-2-enecarboxylic acid IUPAC Name: 2-(4-methylphenyl)-3-[5-(4-methylphenyl)pent-4-ynyl]-1-phenylcycloprop-2-ene-1-carboxylic acid Traditional Name: 1-phenyl-2-(p-tolyl)-3-[5-(p-tolyl)pent-4-ynyl]cycloprop-2-ene-1-carboxylic acid Formula: C29H26O2 MolecularWeight: 406.51554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CCCCC2=C(C2(C3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C#CCCCC2=C(C2(C3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H26O2/c1-21-13-17-23(18-14-21)9-5-3-8-12-26-27(24-19-15-22(2)16-20-24)29(26,28(30)31)25-10-6-4-7-11-25/h4,6-7,10-11,13-20H,3,8,12H2,1-2H3,(H,30,31)