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

Systemtic Name: 5-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]-2-nitro-benzoic acid Openeye Name: 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-nitro-benzoic acid CAS Name: 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-nitrobenzoic acid IUPAC Name: 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-nitrobenzoic acid Traditional Name: 5-(1,1-diketo-1,4-thiazinan-4-yl)-2-nitro-benzoic acid Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CCN1C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H12N2O6S/c14-11(15)9-7-8(1-2-10(9)13(16)17)12-3-5-20(18,19)6-4-12/h1-2,7H,3-6H2,(H,14,15)