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

Systemtic Name: 4-[2-[[8,8-dimethyl-5-(4-pyridin-2-ylphenyl)-7H-naphthalen-2-yl]selanyl]ethynyl]benzoic acid Openeye Name: 4-[2-[[8,8-dimethyl-5-[4-(2-pyridyl)phenyl]-7H-naphthalen-2-yl]selanyl]ethynyl]benzoic acid CAS Name: 4-[2-[[8,8-dimethyl-5-[4-(2-pyridinyl)phenyl]-7H-naphthalen-2-yl]seleno]ethynyl]benzoic acid IUPAC Name: 4-[2-[[8,8-dimethyl-5-(4-pyridin-2-ylphenyl)-7H-naphthalen-2-yl]selanyl]ethynyl]benzoic acid Traditional Name: 4-[2-[[8,8-dimethyl-5-[4-(2-pyridyl)phenyl]-7H-naphthalen-2-yl]seleno]ethynyl]benzoic acid Formula: C32H25NO2Se MolecularWeight: 534.5064

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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)C5=CC=CC=N5)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)C5=CC=CC=N5)C

InChI

InChI=1S/C32H25NO2Se/c1-32(2)18-16-27(23-10-12-24(13-11-23)30-5-3-4-19-33-30)28-15-14-26(21-29(28)32)36-20-17-22-6-8-25(9-7-22)31(34)35/h3-16,19,21H,18H2,1-2H3,(H,34,35)