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

Systemtic Name: 4-[2-(5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid CAS Name: 4-[2-(5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid Formula: C21H18O2 MolecularWeight: 302.36642

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=CC2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(CC=CC2=C1C=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H18O2/c1-21(2)13-3-4-18-14-16(9-12-19(18)21)6-5-15-7-10-17(11-8-15)20(22)23/h3-4,7-12,14H,13H2,1-2H3,(H,22,23)