5-[(2E)-2-(3-cyano-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-2,4-bis(1-methoxyethoxy)benzenesulfonic acid

Systemtic Name: 5-[(2E)-2-(3-cyano-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-2,4-bis(1-methoxyethoxy)benzenesulfonic acid Openeye Name: 5-[(2E)-2-(3-cyano-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]-2,4-bis(1-methoxyethoxy)benzenesulfonic acid CAS Name: 5-[(2E)-2-(3-cyano-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]-2,4-bis(1-methoxyethoxy)benzenesulfonic acid IUPAC Name: 5-[(2E)-2-(3-cyano-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]-2,4-bis(1-methoxyethoxy)benzenesulfonic acid Traditional Name: 5-[(N'E)-N'-(3-cyano-5-keto-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]-2,4-bis(1-methoxyethoxy)besylic acid Formula: C22H23N5O8S MolecularWeight: 517.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OC1=CC(=C(C=C1NN=C2C(=NN(C2=O)C3=CC=CC=C3)C#N)S(=O)(=O)O)OC(C)OC

Isomeric SMILES

CC(OC)OC1=CC(=C(C=C1N/N=C/2\C(=NN(C2=O)C3=CC=CC=C3)C#N)S(=O)(=O)O)OC(C)OC

InChI

InChI=1S/C22H23N5O8S/c1-13(32-3)34-18-11-19(35-14(2)33-4)20(36(29,30)31)10-16(18)24-25-21-17(12-23)26-27(22(21)28)15-8-6-5-7-9-15/h5-11,13-14,24H,1-4H3,(H,29,30,31)/b25-21+