2-chloranyl-5-(trifluoromethyl)benzenediazonium; naphthalene-1,5-disulfonate

Systemtic Name: 2-chloranyl-5-(trifluoromethyl)benzenediazonium; naphthalene-1,5-disulfonate Openeye Name: 2-chloro-5-(trifluoromethyl)benzenediazonium; naphthalene-1,5-disulfonate CAS Name: 2-chloro-5-(trifluoromethyl)benzenediazonium; naphthalene-1,5-disulfonate IUPAC Name: 2-chloro-5-(trifluoromethyl)benzenediazonium; naphthalene-1,5-disulfonate Traditional Name: 2-chloro-5-(trifluoromethyl)benzenediazonium; naphthalene-1,5-disulfonate Formula: C24H12Cl2F6N4O6S2 MolecularWeight: 701.401699

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].C1=CC(=C(C=C1C(F)(F)F)[N+]#N)Cl.C1=CC(=C(C=C1C(F)(F)F)[N+]#N)Cl

Isomeric SMILES

C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].C1=CC(=C(C=C1C(F)(F)F)[N+]#N)Cl.C1=CC(=C(C=C1C(F)(F)F)[N+]#N)Cl

InChI

InChI=1S/C10H8O6S2.2C7H3ClF3N2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*8-5-2-1-4(7(9,10)11)3-6(5)13-12/h1-6H,(H,11,12,13)(H,14,15,16);2*1-3H/q;2*+1/p-2