chloranylcopper; 1,4,7-tris[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl]-1,4,7-triazonane

Systemtic Name: chloranylcopper; 1,4,7-tris[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecakis(fluoranyl)undecyl]-1,4,7-triazonane Openeye Name: chlorocopper; 1,4,7-tris(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-1,4,7-triazonane CAS Name: chlorocopper; 1,4,7-tris(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-1,4,7-triazonane IUPAC Name: chlorocopper; 1,4,7-tris(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-1,4,7-triazonane Traditional Name: chlorocopper; 1,4,7-tris(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-1,4,7-triazonane Formula: C39H30ClCuF51N3 MolecularWeight: 1608.593163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.Cl[Cu]

Isomeric SMILES

C1CN(CCN(CCN1CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.Cl[Cu]

InChI

InChI=1S/C39H30F51N3.ClH.Cu/c40-16(41,19(46,47)22(52,53)25(58,59)28(64,65)31(70,71)34(76,77)37(82,83)84)4-1-7-91-10-12-92(8-2-5-17(42,43)20(48,49)23(54,55)26(60,61)29(66,67)32(72,73)35(78,79)38(85,86)87)14-15-93(13-11-91)9-3-6-18(44,45)21(50,51)24(56,57)27(62,63)30(68,69)33(74,75)36(80,81)39(88,89)90;;/h1-15H2;1H;/q;;+1/p-1