fluoranylboron(1-); (Z)-[8-(2-methoxycarbonylphenyl)-2,6-dimethyl-5-[1,2,2-tris(fluoranyl)ethylamino]xanthen-3-ylidene]-[1,2,2-tris(fluoranyl)ethyl]azanium

Systemtic Name: fluoranylboron(1-); (Z)-[8-(2-methoxycarbonylphenyl)-2,6-dimethyl-5-[1,2,2-tris(fluoranyl)ethylamino]xanthen-3-ylidene]-[1,2,2-tris(fluoranyl)ethyl]azanium Openeye Name: fluoroboron(1-); (Z)-[8-(2-methoxycarbonylphenyl)-2,6-dimethyl-5-(1,2,2-trifluoroethylamino)xanthen-3-ylidene]-(1,2,2-trifluoroethyl)ammonium CAS Name: fluoroboron(1-); (Z)-[8-(2-methoxycarbonylphenyl)-2,6-dimethyl-5-(1,2,2-trifluoroethylamino)-3-xanthenylidene]-(1,2,2-trifluoroethyl)ammonium IUPAC Name: fluoroboron(1-); (Z)-[8-(2-methoxycarbonylphenyl)-2,6-dimethyl-5-(1,2,2-trifluoroethylamino)xanthen-3-ylidene]-(1,2,2-trifluoroethyl)azanium Traditional Name: (Z)-[8-(2-carbomethoxyphenyl)-2,6-dimethyl-5-(1,2,2-trifluoroethylamino)xanthen-3-ylidene]-(1,2,2-trifluoroethyl)ammonium; fluoroboron(1-) Formula: C27H23BF7N2O3 MolecularWeight: 567.282942

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Descriptors Computed from Structure

Canonical SMILES:

[B-]F.CC1=CC2=CC3=C(C(=C(C=C3C4=CC=CC=C4C(=O)OC)C)NC(C(F)F)F)OC2=CC1=[NH+]C(C(F)F)F

Isomeric SMILES

[B-]F.CC\1=CC2=CC3=C(C(=C(C=C3C4=CC=CC=C4C(=O)OC)C)NC(C(F)F)F)OC2=C/C1=[NH+]/C(C(F)F)F

InChI

InChI=1S/C27H22F6N2O3.BF/c1-12-8-14-10-18-17(15-6-4-5-7-16(15)27(36)37-3)9-13(2)21(35-26(33)24(30)31)22(18)38-20(14)11-19(12)34-25(32)23(28)29;1-2/h4-11,23-26,35H,1-3H3;/q;-1/p+1/b34-19-;