disodium 2-oxidanylidene-3-[2-(2-sulfophenyl)ethanoylamino]azetidine-1-sulfonate

Systemtic Name: disodium 2-oxidanylidene-3-[2-(2-sulfophenyl)ethanoylamino]azetidine-1-sulfonate Openeye Name: disodium 2-oxo-3-[[2-(2-sulfophenyl)acetyl]amino]azetidine-1-sulfonate CAS Name: disodium 2-oxo-3-[[1-oxo-2-(2-sulfophenyl)ethyl]amino]-1-azetidinesulfonate IUPAC Name: disodium 2-oxo-3-[[2-(2-sulfophenyl)acetyl]amino]azetidine-1-sulfonate Traditional Name: disodium 2-keto-3-[[2-(2-sulfophenyl)acetyl]amino]azetidine-1-sulfonate Formula: C22H22N4Na2O16S4 MolecularWeight: 772.66682

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CC2=CC=CC=C2S(=O)(=O)O.C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CC2=CC=CC=C2S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CC2=CC=CC=C2S(=O)(=O)O.C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)CC2=CC=CC=C2S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/2C11H12N2O8S2.2Na/c2*14-10(12-8-6-13(11(8)15)23(19,20)21)5-7-3-1-2-4-9(7)22(16,17)18;;/h2*1-4,8H,5-6H2,(H,12,14)(H,16,17,18)(H,19,20,21);;/q;;2*+1/p-2