4-[2-(5,5-dimethyl-8-thiophen-2-yl-6H-naphthalen-2-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(5,5-dimethyl-8-thiophen-2-yl-6H-naphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-[5,5-dimethyl-8-(2-thienyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid CAS Name: 4-[2-(5,5-dimethyl-8-thiophen-2-yl-6H-naphthalen-2-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(5,5-dimethyl-8-thiophen-2-yl-6H-naphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-[5,5-dimethyl-8-(2-thienyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid Formula: C25H20O2S MolecularWeight: 384.4901

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=CC=CS4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C4=CC=CS4)C

InChI

InChI=1S/C25H20O2S/c1-25(2)14-13-20(23-4-3-15-28-23)21-16-18(9-12-22(21)25)6-5-17-7-10-19(11-8-17)24(26)27/h3-4,7-13,15-16H,14H2,1-2H3,(H,26,27)