disodium 3-[2-[2-[aminocarbonyl(sulfonato)amino]phenyl]ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: disodium 3-[2-[2-[aminocarbonyl(sulfonato)amino]phenyl]ethanoylamino]-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: disodium 3-[[2-[2-[carbamoyl(sulfonato)amino]phenyl]acetyl]amino]-2-oxo-azetidine-1-sulfonate CAS Name: disodium 3-[[2-[2-[carbamoyl(sulfonato)amino]phenyl]-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonate IUPAC Name: disodium 3-[[2-[2-[carbamoyl(sulfonato)amino]phenyl]acetyl]amino]-2-oxoazetidine-1-sulfonate Traditional Name: disodium 3-[[2-[2-[carbamoyl(sulfonato)amino]phenyl]acetyl]amino]-2-keto-azetidine-1-sulfonate Formula: C12H12N4Na2O9S2 MolecularWeight: 466.35462

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CC2=CC=CC=C2N(C(=O)N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CC2=CC=CC=C2N(C(=O)N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H14N4O9S2.2Na/c13-12(19)16(27(23,24)25)9-4-2-1-3-7(9)5-10(17)14-8-6-15(11(8)18)26(20,21)22;;/h1-4,8H,5-6H2,(H2,13,19)(H,14,17)(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2