[3-(2-thionitrosoethanoyloxy)-2,2-bis(2-thionitrosoethanoyloxymethyl)propyl] 2-thionitrosoethanoate

Systemtic Name: [3-(2-thionitrosoethanoyloxy)-2,2-bis(2-thionitrosoethanoyloxymethyl)propyl] 2-thionitrosoethanoate Openeye Name: [3-(2-thionitrosoacetyl)oxy-2,2-bis[(2-thionitrosoacetyl)oxymethyl]propyl] 2-thionitrosoacetate CAS Name: 2-thionitrosoacetic acid [3-(1-oxo-2-thionitrosoethoxy)-2,2-bis[(1-oxo-2-thionitrosoethoxy)methyl]propyl] ester IUPAC Name: [3-(2-thionitrosoacetyl)oxy-2,2-bis[(2-thionitrosoacetyl)oxymethyl]propyl] 2-thionitrosoacetate Traditional Name: 2-thionitrosoacetic acid [3-(2-thionitrosoacetyl)oxy-2,2-bis[(2-thionitrosoacetyl)oxymethyl]propyl] ester Formula: C13H16N4O8S4 MolecularWeight: 484.54814

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)OCC(COC(=O)CN=S)(COC(=O)CN=S)COC(=O)CN=S)N=S

Isomeric SMILES

C(C(=O)OCC(COC(=O)CN=S)(COC(=O)CN=S)COC(=O)CN=S)N=S

InChI

InChI=1S/C13H16N4O8S4/c18-9(1-14-26)22-5-13(6-23-10(19)2-15-27,7-24-11(20)3-16-28)8-25-12(21)4-17-29/h1-8H2