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

Systemtic Name: [3-(4-tert-butylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-azanium Openeye Name: [3-(4-tert-butylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-ammonium CAS Name: [3-(4-tert-butylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-dipropylammonium IUPAC Name: [3-(4-tert-butylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl-dipropylazanium Traditional Name: [3-(4-tert-butylphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-dipropyl-ammonium Formula: C27H33F3NO4+ MolecularWeight: 492.55043

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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)C(C)(C)C)C(F)(F)F)O

Isomeric SMILES

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

InChI

InChI=1S/C27H32F3NO4/c1-6-14-31(15-7-2)16-20-21(32)13-12-19-22(33)24(25(27(28,29)30)35-23(19)20)34-18-10-8-17(9-11-18)26(3,4)5/h8-13,32H,6-7,14-16H2,1-5H3/p+1