2-[2-[5,5-dimethyl-8-(3-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoate

Systemtic Name: 2-[2-[5,5-dimethyl-8-(3-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoate Openeye Name: 2-[2-[5,5-dimethyl-8-(m-tolyl)-6H-naphthalen-2-yl]ethynyl]benzoate CAS Name: 2-[2-[5,5-dimethyl-8-(3-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoate IUPAC Name: 2-[2-[5,5-dimethyl-8-(3-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoate Traditional Name: 2-[2-[5,5-dimethyl-8-(m-tolyl)-6H-naphthalen-2-yl]ethynyl]benzoate Formula: C28H23O2- MolecularWeight: 391.48102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24O2/c1-19-7-6-9-22(17-19)23-15-16-28(2,3)26-14-12-20(18-25(23)26)11-13-21-8-4-5-10-24(21)27(29)30/h4-10,12,14-15,17-18H,16H2,1-3H3,(H,29,30)/p-1