2-[2-[1,1-dimethyl-3-(4-methylphenyl)inden-5-yl]ethynyl]benzoate

Systemtic Name: 2-[2-[1,1-dimethyl-3-(4-methylphenyl)inden-5-yl]ethynyl]benzoate Openeye Name: 2-[2-[1,1-dimethyl-3-(p-tolyl)inden-5-yl]ethynyl]benzoate CAS Name: 2-[2-[1,1-dimethyl-3-(4-methylphenyl)-5-indenyl]ethynyl]benzoate IUPAC Name: 2-[2-[1,1-dimethyl-3-(4-methylphenyl)inden-5-yl]ethynyl]benzoate Traditional Name: 2-[2-[1,1-dimethyl-3-(p-tolyl)inden-5-yl]ethynyl]benzoate Formula: C27H21O2- MolecularWeight: 377.45444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(C3=C2C=C(C=C3)C#CC4=CC=CC=C4C(=O)[O-])(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(C3=C2C=C(C=C3)C#CC4=CC=CC=C4C(=O)[O-])(C)C

InChI

InChI=1S/C27H22O2/c1-18-8-12-21(13-9-18)24-17-27(2,3)25-15-11-19(16-23(24)25)10-14-20-6-4-5-7-22(20)26(28)29/h4-9,11-13,15-17H,1-3H3,(H,28,29)/p-1