8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-naphthalen-2-yloxy-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-naphthalen-2-yloxy-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(diisobutylammonio)methyl]-3-(2-naphthyloxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[[bis(2-methylpropyl)ammonio]methyl]-3-(2-naphthalenyloxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-naphthalen-2-yloxy-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(diisobutylammonio)methyl]-4-keto-3-(2-naphthoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C29H30F3NO4 MolecularWeight: 513.54801

Click to see the large picture

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