4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oct-1-ynyl]benzoic acid

Systemtic Name: 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oct-1-ynyl]benzoic acid Openeye Name: 4-[3-(1,1,4,4-tetramethyltetralin-6-yl)oct-1-ynyl]benzoic acid CAS Name: 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oct-1-ynyl]benzoic acid IUPAC Name: 4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oct-1-ynyl]benzoic acid Traditional Name: 4-[3-(1,1,4,4-tetramethyltetralin-6-yl)oct-1-ynyl]benzoic acid Formula: C29H36O2 MolecularWeight: 416.59494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C

Isomeric SMILES

CCCCCC(C#CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C

InChI

InChI=1S/C29H36O2/c1-6-7-8-9-22(13-10-21-11-14-23(15-12-21)27(30)31)24-16-17-25-26(20-24)29(4,5)19-18-28(25,2)3/h11-12,14-17,20,22H,6-9,18-19H2,1-5H3,(H,30,31)