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Substance Name: Dicyclohexylammonium (2S-(2alpha,5alpha,6beta))-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate
RN: 77442-41-2
InChIKey: VSIYPPRFXFHDCH-AYQKUTHPSA-N

Molecular Formula

  • C12-H23-N.C8-H10-Br-N-O3-S

Molecular Weight

  • 461.4617
 
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Names and Synonyms

Synonym

  • EINECS 278-688-9

Systematic Name

  • Dicyclohexylammonium (2S-(2alpha,5alpha,6beta))-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate

Registry Numbers

CAS Registry Number

  • 77442-41-2

System Generated Number

  • 0077442412

Molecular Formulas

Molecular Formula

  • C12-H23-N.C8-H10-Br-N-O3-S

Molecular Formula Fragments

  • C12-H23-N
  • C8-H10-Br-N-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C12H23N.C8H10BrNO3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h11-13H,1-10H2;3-4,6H,1-2H3,(H,12,13)/t;3-,4+,6-/m.0/s1

InChIKey

VSIYPPRFXFHDCH-AYQKUTHPSA-N

Smiles

CC1([C@H](N2[C@@H](S1)[C@H](C2=O)Br)C(=O)[O-])C.C1CCC(CC1)[NH2+]C2CCCCC2