4,6-dinitro-5-oxidanyl-1,3-benzoxathiol-2-one; morpholine

Systemtic Name: 4,6-dinitro-5-oxidanyl-1,3-benzoxathiol-2-one; morpholine Openeye Name: 5-hydroxy-4,6-dinitro-1,3-benzoxathiol-2-one; morpholine CAS Name: 5-hydroxy-4,6-dinitro-1,3-benzoxathiol-2-one; morpholine IUPAC Name: 5-hydroxy-4,6-dinitro-1,3-benzoxathiol-2-one; morpholine Traditional Name: 5-hydroxy-4,6-dinitro-1,3-benzoxathiol-2-one; morpholine Formula: C11H11N3O8S MolecularWeight: 345.28534

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1.C1=C(C(=C(C2=C1OC(=O)S2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1.C1=C(C(=C(C2=C1OC(=O)S2)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C7H2N2O7S.C4H9NO/c10-5-2(8(12)13)1-3-6(4(5)9(14)15)17-7(11)16-3;1-3-6-4-2-5-1/h1,10H;5H,1-4H2