6-oxidanylidene-4-(2-oxidanyl-2-phenyl-ethanoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid

Systemtic Name: 6-oxidanylidene-4-(2-oxidanyl-2-phenyl-ethanoyl)-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 4-(2-hydroxy-2-phenyl-acetyl)-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 4-(2-hydroxy-1-oxo-2-phenylethyl)-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 4-(2-hydroxy-2-phenylacetyl)-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 6-keto-4-mandeloyl-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C13H14N2O6S MolecularWeight: 326.32506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)C(C3=CC=CC=C3)O

Isomeric SMILES

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)C(C3=CC=CC=C3)O

InChI

InChI=1S/C13H14N2O6S/c16-11(8-4-2-1-3-5-8)13(18)14-7-6-9-10(14)12(17)15(9)22(19,20)21/h1-5,9-11,16H,6-7H2,(H,19,20,21)