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

Systemtic Name: bis(2-methylpropyl)-[[3-naphthalen-2-yloxy-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: [7-hydroxy-3-(2-naphthyloxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-diisobutyl-ammonium CAS Name: [7-hydroxy-3-(2-naphthalenyloxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [7-hydroxy-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [7-hydroxy-4-keto-3-(2-naphthoxy)-2-(trifluoromethyl)chromen-8-yl]methyl-diisobutyl-ammonium Formula: C29H31F3NO4+ MolecularWeight: 514.55595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC4=CC=CC=C4C=C3)C(F)(F)F)O)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC4=CC=CC=C4C=C3)C(F)(F)F)O)CC(C)C

InChI

InChI=1S/C29H30F3NO4/c1-17(2)14-33(15-18(3)4)16-23-24(34)12-11-22-25(35)27(28(29(30,31)32)37-26(22)23)36-21-10-9-19-7-5-6-8-20(19)13-21/h5-13,17-18,34H,14-16H2,1-4H3/p+1