potassium 2-[2-[(3-methoxy-2-oxidanidyl-phenyl)methylideneazaniumyl]ethanoylazanidyl]ethanoate trihydrate

Systemtic Name: potassium 2-[2-[(3-methoxy-2-oxidanidyl-phenyl)methylideneazaniumyl]ethanoylazanidyl]ethanoate trihydrate Openeye Name: potassium 2-[2-[(3-methoxy-2-oxido-phenyl)methyleneammonio]acetyl]azanidylacetate trihydrate CAS Name: potassium 2-[2-[(3-methoxy-2-oxidophenyl)methylideneammonio]-1-oxoethyl]azanidylacetate trihydrate IUPAC Name: potassium 2-[2-[(3-methoxy-2-oxidophenyl)methylideneazaniumyl]acetyl]azanidylacetate trihydrate Traditional Name: potassium 2-[2-(3-methoxy-2-oxido-benzylidene)ammonioacetyl]azanidylacetate trihydrate Formula: C12H18KN2O8- MolecularWeight: 357.37822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1[O-])C=[NH+]CC(=O)[N-]CC(=O)[O-].O.O.O.[K+]

Isomeric SMILES

COC1=CC=CC(=C1[O-])/C=[NH+]/CC(=O)[N-]CC(=O)[O-].O.O.O.[K+]

InChI

InChI=1S/C12H14N2O5.K.3H2O/c1-19-9-4-2-3-8(12(9)18)5-13-6-10(15)14-7-11(16)17;;;;/h2-5H,6-7H2,1H3,(H3,13,14,15,16,17,18);;3*1H2/q;+1;;;/p-2