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

Systemtic Name: 4-[2-[8-(4-ethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[8-(4-ethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid CAS Name: 4-[2-[8-(4-ethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[8-(4-ethylphenyl)-5,5-dimethyl-6H-naphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[8-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CCC(C3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

InChI

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