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

Systemtic Name: 3-acetamido-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Openeye Name: 3-acetamido-2-methyl-4-oxo-azetidine-1-sulfonic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene CAS Name: 3-acetamido-2-methyl-4-oxo-1-azetidinesulfonic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene IUPAC Name: 3-acetamido-2-methyl-4-oxoazetidine-1-sulfonic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Traditional Name: 3-acetamido-2-keto-4-methyl-azetidine-1-sulfonic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C.C1=CC2=CC(=C1)O2

Isomeric SMILES

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C.C1=CC2=CC(=C1)O2

InChI

InChI=1S/C6H10N2O5S.C6H4O/c1-3-5(7-4(2)9)6(10)8(3)14(11,12)13;1-2-5-4-6(3-1)7-5/h3,5H,1-2H3,(H,7,9)(H,11,12,13);1-4H