4-(2-azanyl-1-oxidanyl-ethyl)benzene-1,2-diol; (2R,3R)-2,3-bis(oxidanyl)butanedioate

Systemtic Name: 4-(2-azanyl-1-oxidanyl-ethyl)benzene-1,2-diol; (2R,3R)-2,3-bis(oxidanyl)butanedioate Openeye Name: 4-(2-amino-1-hydroxy-ethyl)benzene-1,2-diol; (2R,3R)-2,3-dihydroxybutanedioate CAS Name: 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol; (2R,3R)-2,3-dihydroxybutanedioate IUPAC Name: 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol; (2R,3R)-2,3-dihydroxybutanedioate Traditional Name: 4-(2-amino-1-hydroxy-ethyl)pyrocatechol; (2R,3R)-2,3-dihydroxysuccinate Formula: C12H15NO9-2 MolecularWeight: 317.2488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=C(C=C1C(CN)O)O)O.[C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/C8H11NO3.C4H6O6/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10/h1-3,8,10-12H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10)/p-2/t;1-,2-/m.1/s1