5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-one benzoate

Systemtic Name: 5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-one benzoate Openeye Name: 3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-one benzoate CAS Name: 3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinone benzoate IUPAC Name: 3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-one benzoate Traditional Name: 3,4-dihydroxy-5-methylol-2-pyrrolidone benzoate Formula: C12H14NO6- MolecularWeight: 268.24266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)[O-].C(C1C(C(C(=O)N1)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[O-].C(C1C(C(C(=O)N1)O)O)O

InChI

InChI=1S/C7H6O2.C5H9NO4/c8-7(9)6-4-2-1-3-5-6;7-1-2-3(8)4(9)5(10)6-2/h1-5H,(H,8,9);2-4,7-9H,1H2,(H,6,10)/p-1