4-[2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(7-ethyl-1,1,4,4-tetramethyl-tetralin-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(7-ethyl-1,1,4,4-tetramethyl-tetralin-6-yl)ethynyl]benzoic acid Formula: C25H28O2 MolecularWeight: 360.48862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C

InChI

InChI=1S/C25H28O2/c1-6-18-15-21-22(25(4,5)14-13-24(21,2)3)16-20(18)12-9-17-7-10-19(11-8-17)23(26)27/h7-8,10-11,15-16H,6,13-14H2,1-5H3,(H,26,27)