(6E)-1-(4-methoxyphenyl)-4-methyl-6-(oxidanylideneazaniumylmethylidene)pyridazine-3-sulfonate

Systemtic Name: (6E)-1-(4-methoxyphenyl)-4-methyl-6-(oxidanylideneazaniumylmethylidene)pyridazine-3-sulfonate Openeye Name: (6E)-1-(4-methoxyphenyl)-4-methyl-6-(oxoammoniomethylene)pyridazine-3-sulfonate CAS Name: (6E)-1-(4-methoxyphenyl)-4-methyl-6-(oxoammoniomethylidene)-3-pyridazinesulfonate IUPAC Name: (6E)-1-(4-methoxyphenyl)-4-methyl-6-(oxoazaniumylmethylidene)pyridazine-3-sulfonate Traditional Name: (6E)-6-(ketoammoniomethylene)-1-(4-methoxyphenyl)-4-methyl-pyridazine-3-sulfonate Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[NH+]=O)N(N=C1S(=O)(=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C/C(=C\[NH+]=O)/N(N=C1S(=O)(=O)[O-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C13H13N3O5S/c1-9-7-11(8-14-17)16(15-13(9)22(18,19)20)10-3-5-12(21-2)6-4-10/h3-8H,1-2H3,(H,18,19,20)/b11-8+