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

Systemtic Name: 4-[2-(8-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(8-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid CAS Name: 4-[2-(8-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(8-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(8-butyl-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoic acid Formula: C25H26O2 MolecularWeight: 358.47274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CCC(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CCCCC1=CCC(C2=C1C=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C25H26O2/c1-4-5-6-20-15-16-25(2,3)23-14-11-19(17-22(20)23)8-7-18-9-12-21(13-10-18)24(26)27/h9-15,17H,4-6,16H2,1-3H3,(H,26,27)