1-acetamido-4-oxidanylidene-azetidine-2-sulfonic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene

Systemtic Name: 1-acetamido-4-oxidanylidene-azetidine-2-sulfonic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Openeye Name: 1-acetamido-4-oxo-azetidine-2-sulfonic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene CAS Name: 1-acetamido-4-oxo-2-azetidinesulfonic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene IUPAC Name: 1-acetamido-4-oxoazetidine-2-sulfonic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Traditional Name: 1-acetamido-4-keto-azetidine-2-sulfonic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN1C(CC1=O)S(=O)(=O)O.C1=CC2=CC(=C1)O2

Isomeric SMILES

CC(=O)NN1C(CC1=O)S(=O)(=O)O.C1=CC2=CC(=C1)O2

InChI

InChI=1S/C6H4O.C5H8N2O5S/c1-2-5-4-6(3-1)7-5;1-3(8)6-7-4(9)2-5(7)13(10,11)12/h1-4H;5H,2H2,1H3,(H,6,8)(H,10,11,12)