disodium 3-methoxy-2-oxidanylidene-3-[(2-phenyl-2-sulfonato-ethanoyl)amino]azetidine-1-sulfonate

Systemtic Name: disodium 3-methoxy-2-oxidanylidene-3-[(2-phenyl-2-sulfonato-ethanoyl)amino]azetidine-1-sulfonate Openeye Name: disodium 3-methoxy-2-oxo-3-[(2-phenyl-2-sulfonato-acetyl)amino]azetidine-1-sulfonate CAS Name: disodium 3-methoxy-2-oxo-3-[(1-oxo-2-phenyl-2-sulfonatoethyl)amino]-1-azetidinesulfonate IUPAC Name: disodium 3-methoxy-2-oxo-3-[(2-phenyl-2-sulfonatoacetyl)amino]azetidine-1-sulfonate Traditional Name: disodium 2-keto-3-methoxy-3-[(2-phenyl-2-sulfonato-acetyl)amino]azetidine-1-sulfonate Formula: C12H12N2Na2O9S2 MolecularWeight: 438.34122

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CN(C1=O)S(=O)(=O)[O-])NC(=O)C(C2=CC=CC=C2)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1(CN(C1=O)S(=O)(=O)[O-])NC(=O)C(C2=CC=CC=C2)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H14N2O9S2.2Na/c1-23-12(7-14(11(12)16)25(20,21)22)13-10(15)9(24(17,18)19)8-5-3-2-4-6-8;;/h2-6,9H,7H2,1H3,(H,13,15)(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2