[7-oxidanyl-4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-azanium

Systemtic Name: [7-oxidanyl-4-oxidanylidene-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-azanium Openeye Name: [7-hydroxy-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-ammonium CAS Name: [7-hydroxy-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dipropylammonium IUPAC Name: [7-hydroxy-4-oxo-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl-dipropylazanium Traditional Name: [7-hydroxy-4-keto-3-(4-phenylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-ammonium Formula: C29H29F3NO4+ MolecularWeight: 512.54007

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)C4=CC=CC=C4)C(F)(F)F)O

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)C4=CC=CC=C4)C(F)(F)F)O

InChI

InChI=1S/C29H28F3NO4/c1-3-16-33(17-4-2)18-23-24(34)15-14-22-25(35)27(28(29(30,31)32)37-26(22)23)36-21-12-10-20(11-13-21)19-8-6-5-7-9-19/h5-15,34H,3-4,16-18H2,1-2H3/p+1