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Substance Name: 2-((Methoxycarbonylamino)-(2-nitro-5-(n-propylthio)phenylimino)methylamino)ethansulfonic acid
RN: 100098-41-7
InChIKey: CFPLEHFJBFUXGU-UHFFFAOYSA-N

Molecular Weight

  • 541.6
 
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Names and Synonyms

Name of Substance

  • 2-((Methoxycarbonylamino)-(2-nitro-5-(n-propylthio)phenylimino)methylamino)ethansulfonic acid

Synonym

  • MCA tris salt

Registry Numbers

CAS Registry Number

  • 100098-41-7

System Generated Number

  • 0100098417

Structure Descriptors

InChI

1S/C14H20N4O7S2.C4H11NO3/c1-3-7-26-11-4-5-13(18(20)21)12(9-11)16-10-17-25-27(22,23)8-6-15-14(19)24-2;5-4(1-6,2-7)3-8/h4-5,9-10H,3,6-8H2,1-2H3,(H,15,19)(H,16,17);6-8H,1-3,5H2

InChIKey

CFPLEHFJBFUXGU-UHFFFAOYSA-N

Smiles

c1cc(c(cc1SCCC)\N=C\NOS(=O)(CCNC(OC)=O)=O)[N+]([O-])=O.OCC(CO)(N)CO