N-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-2,4-dinitro-aniline

Systemtic Name: N-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-2,4-dinitro-aniline Openeye Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,4-dinitro-aniline CAS Name: N-[[(3R)-1,1-dioxo-3-thiolanyl]methyl]-2,4-dinitroaniline IUPAC Name: N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,4-dinitroaniline Traditional Name: [(3R)-1,1-diketothiolan-3-yl]methyl-(2,4-dinitrophenyl)amine Formula: C11H13N3O6S MolecularWeight: 315.30242

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O6S/c15-13(16)9-1-2-10(11(5-9)14(17)18)12-6-8-3-4-21(19,20)7-8/h1-2,5,8,12H,3-4,6-7H2/t8-/m1/s1