3-phenyl-4-[(E)-3,3,3-tris(fluoranyl)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2H-1,2,3,4-tetrazol-4-ium-4-carboxylic acid

Systemtic Name: 3-phenyl-4-[(E)-3,3,3-tris(fluoranyl)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2H-1,2,3,4-tetrazol-4-ium-4-carboxylic acid Openeye Name: 3-phenyl-4-[(E)-2-(1,1,4,4-tetramethyltetralin-6-yl)-1-(trifluoromethyl)vinyl]-2H-tetrazol-4-ium-4-carboxylic acid CAS Name: 3-phenyl-4-[(E)-3,3,3-trifluoro-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2H-tetrazol-4-ium-4-carboxylic acid IUPAC Name: 3-phenyl-4-[(E)-3,3,3-trifluoro-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-en-2-yl]-2H-tetrazol-4-ium-4-carboxylic acid Traditional Name: 3-phenyl-4-[(E)-2-(1,1,4,4-tetramethyltetralin-6-yl)-1-(trifluoromethyl)vinyl]-2H-tetrazol-4-ium-4-carboxylic acid Formula: C25H28F3N4O2+ MolecularWeight: 473.51063

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)C=C(C(F)(F)F)[N+]3(C=NNN3C4=CC=CC=C4)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)/C=C(\C(F)(F)F)/[N+]3(C=NNN3C4=CC=CC=C4)C(=O)O)(C)C)C

InChI

InChI=1S/C25H27F3N4O2/c1-23(2)12-13-24(3,4)20-14-17(10-11-19(20)23)15-21(25(26,27)28)32(22(33)34)16-29-30-31(32)18-8-6-5-7-9-18/h5-11,14-16,30H,12-13H2,1-4H3/p+1/b21-15+