5-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-2-nitro-benzoic acid

Systemtic Name: 5-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-2-nitro-benzoic acid Openeye Name: 5-[(1,1-dioxothian-4-yl)amino]-2-nitro-benzoic acid CAS Name: 5-[(1,1-dioxo-4-thianyl)amino]-2-nitrobenzoic acid IUPAC Name: 5-[(1,1-dioxothian-4-yl)amino]-2-nitrobenzoic acid Traditional Name: 5-[(1,1-diketothian-4-yl)amino]-2-nitro-benzoic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CCC1NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H14N2O6S/c15-12(16)10-7-9(1-2-11(10)14(17)18)13-8-3-5-21(19,20)6-4-8/h1-2,7-8,13H,3-6H2,(H,15,16)