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Substance Name: EINECS 302-092-0
RN: 94088-88-7
InChIKey: XLURNMDDZLRODD-YCLOEFEOSA-N

Molecular Formula

  • C19-H18-N6-O6-S2.C12-H23-N

Molecular Weight

  • 671.8399
 
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Names and Synonyms

Results Name

  • EINECS 302-092-0

Synonym

  • EINECS 302-092-0

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((formyloxy)phenylacetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(R*)))-, compd. with N-cyclohexylcyclohexanamine (1:1)

Registry Numbers

CAS Registry Number

  • 94088-88-7

System Generated Number

  • 0094088887

Molecular Formulas

Molecular Formula

  • C19-H18-N6-O6-S2.C12-H23-N

Molecular Formula Fragments

  • C12-H23-N
  • C19-H18-N6-O6-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C19H18N6O6S2.C12H23N/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);11-13H,1-10H2/t12-,14-,17-;/m1./s1

InChIKey

XLURNMDDZLRODD-YCLOEFEOSA-N

Smiles

N12C(=O)[C@H]([C@H]1SCC(=C2C(=O)O)CSc1n(nnn1)C)NC(=O)[C@@H](c1ccccc1)OC=O.N(C1CCCCC1)C1CCCCC1