bis(1-methylcyclohexyl)azanium; tetrakis[3,4,6-tris(fluoranyl)-2-methyl-phenyl]boranuide

Systemtic Name: bis(1-methylcyclohexyl)azanium; tetrakis[3,4,6-tris(fluoranyl)-2-methyl-phenyl]boranuide Openeye Name: bis(1-methylcyclohexyl)ammonium; tetrakis(3,4,6-trifluoro-2-methyl-phenyl)boranuide CAS Name: bis(1-methylcyclohexyl)ammonium; tetrakis(3,4,6-trifluoro-2-methylphenyl)boranuide IUPAC Name: bis(1-methylcyclohexyl)azanium; tetrakis(3,4,6-trifluoro-2-methylphenyl)boranuide Traditional Name: bis(1-methylcyclohexyl)ammonium; tetrakis(3,4,6-trifluoro-2-methyl-phenyl)boranuide Formula: C42H44BF12N MolecularWeight: 801.597298

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=C(C(=C(C=C1F)F)F)C)(C2=C(C(=C(C=C2F)F)F)C)(C3=C(C(=C(C=C3F)F)F)C)C4=C(C(=C(C=C4F)F)F)C.CC1(CCCCC1)[NH2+]C2(CCCCC2)C

Isomeric SMILES

[B-](C1=C(C(=C(C=C1F)F)F)C)(C2=C(C(=C(C=C2F)F)F)C)(C3=C(C(=C(C=C3F)F)F)C)C4=C(C(=C(C=C4F)F)F)C.CC1(CCCCC1)[NH2+]C2(CCCCC2)C

InChI

InChI=1S/C28H16BF12.C14H27N/c1-9-21(13(30)5-17(34)25(9)38)29(22-10(2)26(39)18(35)6-14(22)31,23-11(3)27(40)19(36)7-15(23)32)24-12(4)28(41)20(37)8-16(24)33;1-13(9-5-3-6-10-13)15-14(2)11-7-4-8-12-14/h5-8H,1-4H3;15H,3-12H2,1-2H3/q-1;/p+1