1-quinoxalin-2-ylbutane-1,2,3,4-tetrol hydrate

Systemtic Name: 1-quinoxalin-2-ylbutane-1,2,3,4-tetrol hydrate Openeye Name: 1-quinoxalin-2-ylbutane-1,2,3,4-tetrol hydrate CAS Name: 1-(2-quinoxalinyl)butane-1,2,3,4-tetrol hydrate IUPAC Name: 1-quinoxalin-2-ylbutane-1,2,3,4-tetrol hydrate Traditional Name: 1-quinoxalin-2-ylbutane-1,2,3,4-tetrol hydrate Formula: C12H16N2O5 MolecularWeight: 268.26584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C(C(C(CO)O)O)O.O

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)C(C(C(CO)O)O)O.O

InChI

InChI=1S/C12H14N2O4.H2O/c15-6-10(16)12(18)11(17)9-5-13-7-3-1-2-4-8(7)14-9;/h1-5,10-12,15-18H,6H2;1H2