N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-2,4,6-trinitro-aniline

Systemtic Name: N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-2,4,6-trinitro-aniline Openeye Name: N-[(1,1-dioxothiolan-3-yl)methyl]-2,4,6-trinitro-aniline CAS Name: N-[(1,1-dioxo-3-thiolanyl)methyl]-2,4,6-trinitroaniline IUPAC Name: N-[(1,1-dioxothiolan-3-yl)methyl]-2,4,6-trinitroaniline Traditional Name: (1,1-diketothiolan-3-yl)methyl-picryl-amine Formula: C11H12N4O8S MolecularWeight: 360.29998

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O8S/c16-13(17)8-3-9(14(18)19)11(10(4-8)15(20)21)12-5-7-1-2-24(22,23)6-7/h3-4,7,12H,1-2,5-6H2