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

Systemtic Name: 4-[2-[[8,8-dimethyl-5-(4-thiophen-2-ylphenyl)-7H-naphthalen-2-yl]selanyl]ethynyl]benzoic acid Openeye Name: 4-[2-[[8,8-dimethyl-5-[4-(2-thienyl)phenyl]-7H-naphthalen-2-yl]selanyl]ethynyl]benzoic acid CAS Name: 4-[2-[[8,8-dimethyl-5-(4-thiophen-2-ylphenyl)-7H-naphthalen-2-yl]seleno]ethynyl]benzoic acid IUPAC Name: 4-[2-[[8,8-dimethyl-5-(4-thiophen-2-ylphenyl)-7H-naphthalen-2-yl]selanyl]ethynyl]benzoic acid Traditional Name: 4-[2-[[8,8-dimethyl-5-[4-(2-thienyl)phenyl]-7H-naphthalen-2-yl]seleno]ethynyl]benzoic acid Formula: C31H24O2SSe MolecularWeight: 539.54606

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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=CS5)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=CS5)C

InChI

InChI=1S/C31H24O2SSe/c1-31(2)17-15-26(22-9-11-23(12-10-22)29-4-3-18-34-29)27-14-13-25(20-28(27)31)35-19-16-21-5-7-24(8-6-21)30(32)33/h3-15,18,20H,17H2,1-2H3,(H,32,33)