sodium 3-[2-[3,5-bis(chloranyl)-4-oxidanylidene-3H-pyridin-1-ium-1-yl]ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[2-[3,5-bis(chloranyl)-4-oxidanylidene-3H-pyridin-1-ium-1-yl]ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[[2-(3,5-dichloro-4-oxo-3H-pyridin-1-ium-1-yl)acetyl]amino]-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[2-(3,5-dichloro-4-oxo-3H-pyridin-1-ium-1-yl)-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[2-(3,5-dichloro-4-oxo-3H-pyridin-1-ium-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[[2-(3,5-dichloro-4-keto-3H-pyridin-1-ium-1-yl)acetyl]amino]-2-keto-azetidine-1-sulfonate Formula: C10H9Cl2N3NaO6S+ MolecularWeight: 393.15573

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C[N+]2=CC(C(=O)C(=C2)Cl)Cl.[Na+]

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C[N+]2=CC(C(=O)C(=C2)Cl)Cl.[Na+]

InChI

InChI=1S/C10H9Cl2N3O6S.Na/c11-5-1-14(2-6(12)9(5)17)4-8(16)13-7-3-15(10(7)18)22(19,20)21;/h1-2,5,7H,3-4H2,(H-,13,16,19,20,21);/q;+1