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Substance Name: Benzoxan
RN: 8073-37-8
InChIKey: IGJRPICXFFLHNU-DZCJHZILSA-L

Molecular Formula

  • C7-H5-N-O2.C6-H12-N2-S4.C6-H6-Cl6.C6-Cl6.1/2Zn

Molecular Weight

  • 1117.5374
 
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Names and Synonyms

Results Name

  • Benzoxan

Synonym

  • Benzoxan

Systematic Name

  • Thioperoxydicarbonic diamide, tetramethyl-, mixt. with 2(3H)-benzoxazolone zinc salt, hexachlorobenzene and (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane

Registry Numbers

CAS Registry Number

  • 8073-37-8

System Generated Number

  • 0008073378

Molecular Formulas

Molecular Formula

  • C7-H5-N-O2.C6-H12-N2-S4.C6-H6-Cl6.C6-Cl6.1/2Zn

Molecular Formula Fragments

  • C6-Cl6
  • C6-H12-N2-S4
  • C6-H6-Cl6
  • C7-H5-N-O2
  • COMPONENT
  • Zn

Structure Descriptors

InChI

1S/2C7H5NO2.C6H6Cl6.C6Cl6.C6H12N2O2S2.Zn/c2*9-7-8-5-3-1-2-4-6(5)10-7;2*7-1-2(8)4(10)6(12)5(11)3(1)9;1-7(2)5(9)11-12-6(10)8(3)4;/h2*1-4H,(H,8,9);1-6H;;1-4H3;/q;;;;;+2/p-2/t;;1-,2-,3-,4-,5+,6+;;;/m..1.../s1

InChIKey

IGJRPICXFFLHNU-DZCJHZILSA-L

Smiles

CN(C(=O)SSC(=O)N(C)C)C.c1cc2[n-]c(=O)oc2cc1.c1cc2[n-]c(=O)oc2cc1.c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.[C@@H]1([C@@H]([C@@H]([C@H]([C@H]([C@@H]1Cl)Cl)Cl)Cl)Cl)Cl.[Zn+2]