4-[2-(8,8-dimethyl-5-prop-1-ynyl-7H-naphthalen-2-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(8,8-dimethyl-5-prop-1-ynyl-7H-naphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(8,8-dimethyl-5-prop-1-ynyl-7H-naphthalen-2-yl)ethynyl]benzoic acid CAS Name: 4-[2-(8,8-dimethyl-5-prop-1-ynyl-7H-naphthalen-2-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(8,8-dimethyl-5-prop-1-ynyl-7H-naphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(8,8-dimethyl-5-prop-1-ynyl-7H-naphthalen-2-yl)ethynyl]benzoic acid Formula: C24H20O2 MolecularWeight: 340.4144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20O2/c1-4-5-19-14-15-24(2,3)22-16-18(10-13-21(19)22)7-6-17-8-11-20(12-9-17)23(25)26/h8-14,16H,15H2,1-3H3,(H,25,26)