4-[2-(5-tert-butyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(5-tert-butyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(5-tert-butyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid CAS Name: 4-[2-(5-tert-butyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(5-tert-butyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(5-tert-butyl-8,8-dimethyl-7H-naphthalen-2-yl)ethynyl]benzoic acid Formula: C25H26O2 MolecularWeight: 358.47274

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)C(C)(C)C)C

Isomeric SMILES

CC1(CC=C(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)C(C)(C)C)C

InChI

InChI=1S/C25H26O2/c1-24(2,3)21-14-15-25(4,5)22-16-18(10-13-20(21)22)7-6-17-8-11-19(12-9-17)23(26)27/h8-14,16H,15H2,1-5H3,(H,26,27)