4-[2-[8-(3,5-dimethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[8-(3,5-dimethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[8-(3,5-dimethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid CAS Name: 4-[2-[8-(3,5-dimethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[8-(3,5-dimethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[8-(3,5-dimethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Formula: C29H26O2 MolecularWeight: 406.51554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C)C

InChI

InChI=1S/C29H26O2/c1-19-15-20(2)17-24(16-19)25-13-14-29(3,4)27-12-9-22(18-26(25)27)6-5-21-7-10-23(11-8-21)28(30)31/h7-13,15-18H,14H2,1-4H3,(H,30,31)