6-[2-[[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]selanyl]ethynyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[2-[[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]selanyl]ethynyl]pyridine-3-carboxylic acid Openeye Name: 6-[2-[[8,8-dimethyl-5-(p-tolyl)-7H-naphthalen-2-yl]selanyl]ethynyl]pyridine-3-carboxylic acid CAS Name: 6-[2-[[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]seleno]ethynyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-[[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]selanyl]ethynyl]pyridine-3-carboxylic acid Traditional Name: 6-[2-[[8,8-dimethyl-5-(p-tolyl)-7H-naphthalen-2-yl]seleno]ethynyl]nicotinic acid Formula: C27H23NO2Se MolecularWeight: 472.43702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CCC(C3=C2C=CC(=C3)[Se]C#CC4=NC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CCC(C3=C2C=CC(=C3)[Se]C#CC4=NC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C27H23NO2Se/c1-18-4-6-19(7-5-18)23-12-14-27(2,3)25-16-22(10-11-24(23)25)31-15-13-21-9-8-20(17-28-21)26(29)30/h4-12,16-17H,14H2,1-3H3,(H,29,30)