1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-imine; propane-1,2,3-triol

Systemtic Name: 1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-imine; propane-1,2,3-triol Openeye Name: glycerol; 4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine CAS Name: 4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine; propane-1,2,3-triol IUPAC Name: 4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine; propane-1,2,3-triol Traditional Name: glycerol; (4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amine Formula: C10H14N4O5 MolecularWeight: 270.24196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=N)N=[N+]2[O-])O.C(C(CO)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=N)N=[N+]2[O-])O.C(C(CO)O)O

InChI

InChI=1S/C7H6N4O2.C3H8O3/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12;4-1-3(6)2-5/h1-4,8,12H;3-6H,1-2H2