sodium 3-[[4-[2-(3,5-dimethylpyrazol-4-ylidene)hydrazinyl]-2,5-dimethoxy-phenyl]diazenyl]benzenesulfonate

Systemtic Name: sodium 3-[[4-[2-(3,5-dimethylpyrazol-4-ylidene)hydrazinyl]-2,5-dimethoxy-phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 3-[4-[2-(3,5-dimethylpyrazol-4-ylidene)hydrazino]-2,5-dimethoxy-phenyl]azobenzenesulfonate CAS Name: sodium 3-[4-[2-(3,5-dimethyl-4-pyrazolylidene)hydrazinyl]-2,5-dimethoxyphenyl]azobenzenesulfonate IUPAC Name: sodium 3-[[4-[2-(3,5-dimethylpyrazol-4-ylidene)hydrazinyl]-2,5-dimethoxyphenyl]diazenyl]benzenesulfonate Traditional Name: sodium 3-[4-[N'-(3,5-dimethylpyrazol-4-ylidene)hydrazino]-2,5-dimethoxy-phenyl]azobesylate Formula: C19H19N6NaO5S MolecularWeight: 466.44613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C1=NNC2=C(C=C(C(=C2)OC)N=NC3=CC(=CC=C3)S(=O)(=O)[O-])OC)C.[Na+]

Isomeric SMILES

CC1=NN=C(C1=NNC2=C(C=C(C(=C2)OC)N=NC3=CC(=CC=C3)S(=O)(=O)[O-])OC)C.[Na+]

InChI

InChI=1S/C19H20N6O5S.Na/c1-11-19(12(2)21-20-11)25-24-16-10-17(29-3)15(9-18(16)30-4)23-22-13-6-5-7-14(8-13)31(26,27)28;/h5-10,24H,1-4H3,(H,26,27,28);/q;+1/p-1