sodium 4-[4-[(4-hexoxyphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate

Systemtic Name: sodium 4-[4-[(4-hexoxyphenyl)diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[4-(4-hexoxyphenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: sodium 4-[4-(4-hexoxyphenyl)azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: sodium 4-[4-[(4-hexoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[4-(4-hexoxyphenyl)azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylate Formula: C22H25N4NaO5S MolecularWeight: 480.51247

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C22H26N4O5S.Na/c1-3-4-5-6-15-31-19-11-7-17(8-12-19)23-24-21-16(2)25-26(22(21)27)18-9-13-20(14-10-18)32(28,29)30;/h7-14,21H,3-6,15H2,1-2H3,(H,28,29,30);/q;+1/p-1