4,5-bis(hydroxymethyl)-2-methyl-1-oxidanidyl-6-phenyldiazenyl-pyridin-1-ium-3-olate

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-1-oxidanidyl-6-phenyldiazenyl-pyridin-1-ium-3-olate Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-1-oxido-6-phenylazo-pyridin-1-ium-3-olate CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-1-oxido-6-phenyldiazenyl-3-pyridin-1-iumolate IUPAC Name: 4,5-bis(hydroxymethyl)-2-methyl-1-oxido-6-phenyldiazenylpyridin-1-ium-3-olate Traditional Name: 2-methyl-4,5-dimethylol-1-oxido-6-phenylazo-pyridin-1-ium-3-olate Formula: C14H14N3O4- MolecularWeight: 288.27866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=[N+]1[O-])N=NC2=CC=CC=C2)CO)CO)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=[N+]1[O-])N=NC2=CC=CC=C2)CO)CO)[O-]

InChI

InChI=1S/C14H15N3O4/c1-9-13(20)11(7-18)12(8-19)14(17(9)21)16-15-10-5-3-2-4-6-10/h2-6,18-20H,7-8H2,1H3/p-1