1-quinoxalin-2-ylbutane-1,1,2,2-tetrol hydrate

Systemtic Name: 1-quinoxalin-2-ylbutane-1,1,2,2-tetrol hydrate Openeye Name: 1-quinoxalin-2-ylbutane-1,1,2,2-tetrol hydrate CAS Name: 1-(2-quinoxalinyl)butane-1,1,2,2-tetrol hydrate IUPAC Name: 1-quinoxalin-2-ylbutane-1,1,2,2-tetrol hydrate Traditional Name: 1-quinoxalin-2-ylbutane-1,1,2,2-tetrol hydrate Formula: C12H16N2O5 MolecularWeight: 268.26584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=NC2=CC=CC=C2N=C1)(O)O)(O)O.O

Isomeric SMILES

CCC(C(C1=NC2=CC=CC=C2N=C1)(O)O)(O)O.O

InChI

InChI=1S/C12H14N2O4.H2O/c1-2-11(15,16)12(17,18)10-7-13-8-5-3-4-6-9(8)14-10;/h3-7,15-18H,2H2,1H3;1H2