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

Systemtic Name: 4-[2-[[5-(4-tert-butylphenyl)-8,8-dimethyl-7H-naphthalen-2-yl]selanyl]ethynyl]benzoic acid Openeye Name: 4-[2-[[5-(4-tert-butylphenyl)-8,8-dimethyl-7H-naphthalen-2-yl]selanyl]ethynyl]benzoic acid CAS Name: 4-[2-[[5-(4-tert-butylphenyl)-8,8-dimethyl-7H-naphthalen-2-yl]seleno]ethynyl]benzoic acid IUPAC Name: 4-[2-[[5-(4-tert-butylphenyl)-8,8-dimethyl-7H-naphthalen-2-yl]selanyl]ethynyl]benzoic acid Traditional Name: 4-[2-[[5-(4-tert-butylphenyl)-8,8-dimethyl-7H-naphthalen-2-yl]seleno]ethynyl]benzoic acid Formula: C31H30O2Se MolecularWeight: 513.5287

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=C(C=C2)[Se]C#CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1(CC=C(C2=C1C=C(C=C2)[Se]C#CC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C31H30O2Se/c1-30(2,3)24-12-10-22(11-13-24)26-16-18-31(4,5)28-20-25(14-15-27(26)28)34-19-17-21-6-8-23(9-7-21)29(32)33/h6-16,20H,18H2,1-5H3,(H,32,33)