2-((Methoxycarbonylamino)-(2-nitro-5-(n-propylthio)phenylimino)methylamino)ethansulfonic acid
[CAS# 100098-41-7]

Identification

• Name: 2-((Methoxycarbonylamino)-(2-nitro-5-(n-propylthio)phenylimino)methylamino)ethansulfonic acid
• Synonyms: 2-Amino-2-(Hydroxymethyl)Propane-1,3-Diol; [(2-Nitro-5-Propylsulfanyl-Phenyl)Iminomethylamino] 2-(Methoxycarbonylamino)Ethanesulfonate; 2-Amino-2-(Hydroxymethyl)Propane-1,3-Diol; 2-(Methoxycarbonylamino)Ethanesulfonic Acid [[2-Nitro-5-(Propylthio)Phenyl]Iminomethylamino] Ester; 2-Amino-2-Methylol-Propane-1,3-Diol; 2-(Carbomethoxyamino)Ethanesulfonic Acid [[2-Nitro-5-(Propylthio)Phenyl]Iminomethylamino] Ester
• Molecular Formula: C₁₈H₃₁N₅O₁₀S₂
• Molecular Weight: 541.59
• CAS Registry Number: 100098-41-7
• SMILES: C1=C(SCCC)C=CC(=C1N=CNO[S](=O)(=O)CCNC(OC)=O)[N+]([O-])=O.C(O)C(N)(CO)CO
• 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