5-ethyl-5-nitro-2-oxidanyl-1,3,2$l^{5}-dioxaphosphinane 2-oxide; 4-methylsulfanylaniline

Systemtic Name: 5-ethyl-5-nitro-2-oxidanyl-1,3,2$l^{5}-dioxaphosphinane 2-oxide; 4-methylsulfanylaniline Openeye Name: 5-ethyl-2-hydroxy-5-nitro-1,3,2$l^{5}-dioxaphosphinane 2-oxide; 4-methylsulfanylaniline CAS Name: 5-ethyl-2-hydroxy-5-nitro-1,3,2$l^{5}-dioxaphosphorinane 2-oxide; 4-(methylthio)aniline IUPAC Name: 5-ethyl-2-hydroxy-5-nitro-1,3,2$l^{5}-dioxaphosphinane 2-oxide; 4-methylsulfanylaniline Traditional Name: 5-ethyl-2-hydroxy-5-nitro-1,3,2$l^{5}-dioxaphosphorinane 2-oxide; [4-(methylthio)phenyl]amine Formula: C12H19N2O6PS MolecularWeight: 350.327821

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(COP(=O)(OC1)O)[N+](=O)[O-].CSC1=CC=C(C=C1)N

Isomeric SMILES

CCC1(COP(=O)(OC1)O)[N+](=O)[O-].CSC1=CC=C(C=C1)N

InChI

InChI=1S/C7H9NS.C5H10NO6P/c1-9-7-4-2-6(8)3-5-7;1-2-5(6(7)8)3-11-13(9,10)12-4-5/h2-5H,8H2,1H3;2-4H2,1H3,(H,9,10)