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

Systemtic Name: 2-[3-oxidanyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-1-ynyl]benzoic acid Openeye Name: 2-[3-hydroxy-3-(1,1,4,4-tetramethyltetralin-6-yl)but-1-ynyl]benzoic acid CAS Name: 2-[3-hydroxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-1-ynyl]benzoic acid IUPAC Name: 2-[3-hydroxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)but-1-ynyl]benzoic acid Traditional Name: 2-[3-hydroxy-3-(1,1,4,4-tetramethyltetralin-6-yl)but-1-ynyl]benzoic acid Formula: C25H28O3 MolecularWeight: 376.48802

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C(C)(C#CC3=CC=CC=C3C(=O)O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)C(C)(C#CC3=CC=CC=C3C(=O)O)O)(C)C)C

InChI

InChI=1S/C25H28O3/c1-23(2)14-15-24(3,4)21-16-18(10-11-20(21)23)25(5,28)13-12-17-8-6-7-9-19(17)22(26)27/h6-11,16,28H,14-15H2,1-5H3,(H,26,27)