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Substance Name: 4-Benzyl hydrogen N-((2-nitrophenyl)thio)-L-aspartate, compound with dicyclohexylamine (1:1)
RN: 2418-90-8
InChIKey: AANMHCRRPDNWHF-ZOWNYOTGSA-N

Molecular Formula

  • C17-H16-N2-O6-S.C12-H23-N

Molecular Weight

  • 557.7081
 
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Names and Synonyms

Synonym

  • EINECS 219-336-6

Systematic Name

  • 4-Benzyl hydrogen N-((2-nitrophenyl)thio)-L-aspartate, compound with dicyclohexylamine (1:1)

Registry Numbers

CAS Registry Number

  • 2418-90-8

System Generated Number

  • 0002418908

Molecular Formulas

Molecular Formula

  • C17-H16-N2-O6-S.C12-H23-N

Molecular Formula Fragments

  • C12-H23-N
  • C17-H16-N2-O6-S
  • COMPONENT

Structure Descriptors

InChI

1S/C17H16N2O6S.C12H23N/c20-16(25-11-12-6-2-1-3-7-12)10-13(17(21)22)18-26-15-9-5-4-8-14(15)19(23)24;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,13,18H,10-11H2,(H,21,22);11-13H,1-10H2/t13-;/m0./s1

InChIKey

AANMHCRRPDNWHF-ZOWNYOTGSA-N

Smiles

c1ccc(cc1)COC(=O)C[C@@H](C(=O)O)NSc2ccccc2[N+](=O)[O-].C1CCC(CC1)NC2CCCCC2