bis(2-methylpropyl)-[[3-naphthalen-1-yl-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]azanium

Systemtic Name: bis(2-methylpropyl)-[[3-naphthalen-1-yl-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: [7-hydroxy-3-(1-naphthyl)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diisobutyl-ammonium CAS Name: [7-hydroxy-3-(1-naphthalenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [7-hydroxy-3-naphthalen-1-yl-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [7-hydroxy-4-keto-3-(1-naphthyl)-2-(trifluoromethyl)chromen-8-yl]methyl-diisobutyl-ammonium Formula: C29H31F3NO3+ MolecularWeight: 498.55655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=CC4=CC=CC=C43)C(F)(F)F)O)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=CC4=CC=CC=C43)C(F)(F)F)O)CC(C)C

InChI

InChI=1S/C29H30F3NO3/c1-17(2)14-33(15-18(3)4)16-23-24(34)13-12-22-26(35)25(28(29(30,31)32)36-27(22)23)21-11-7-9-19-8-5-6-10-20(19)21/h5-13,17-18,34H,14-16H2,1-4H3/p+1