sodium 3-methoxy-2-oxidanylidene-3-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]azetidine-1-sulfonate

Systemtic Name: sodium 3-methoxy-2-oxidanylidene-3-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]azetidine-1-sulfonate Openeye Name: sodium 3-[(3-hydroxy-3-oxo-2-phenyl-propanoyl)amino]-3-methoxy-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[(3-hydroxy-1,3-dioxo-2-phenylpropyl)amino]-3-methoxy-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[(3-hydroxy-3-oxo-2-phenylpropanoyl)amino]-3-methoxy-2-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[(3-hydroxy-3-keto-2-phenyl-propanoyl)amino]-2-keto-3-methoxy-azetidine-1-sulfonate Formula: C13H13N2NaO8S MolecularWeight: 380.30569

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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)C(=O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O8S.Na/c1-23-13(7-15(12(13)19)24(20,21)22)14-10(16)9(11(17)18)8-5-3-2-4-6-8;/h2-6,9H,7H2,1H3,(H,14,16)(H,17,18)(H,20,21,22);/q;+1/p-1