2-[4-[(2Z)-2-[5-methyl-4-oxidanylidene-2-[4-(trioxidanylsulfanyl)phenyl]pyrazol-3-ylidene]hydrazinyl]phenyl]sulfonylethyl hydrogen sulfate

Systemtic Name: 2-[4-[(2Z)-2-[5-methyl-4-oxidanylidene-2-[4-(trioxidanylsulfanyl)phenyl]pyrazol-3-ylidene]hydrazinyl]phenyl]sulfonylethyl hydrogen sulfate Openeye Name: 2-[4-[(2Z)-2-[5-methyl-4-oxo-2-[4-(trioxidanylsulfanyl)phenyl]pyrazol-3-ylidene]hydrazino]phenyl]sulfonylethyl hydrogen sulfate CAS Name: 4-[(5Z)-3-methyl-4-oxo-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-1-pyrazolyl]benzenesulfenic acid hydroperoxy ester IUPAC Name: 2-[4-[(2Z)-2-[5-methyl-4-oxo-2-[4-(trioxidanylsulfanyl)phenyl]pyrazol-3-ylidene]hydrazinyl]phenyl]sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[4-[(N'Z)-N'-[4-keto-5-methyl-2-[4-(trioxidanylthio)phenyl]-2-pyrazolin-3-ylidene]hydrazino]phenyl]sulfonylethyl ester Formula: C18H18N4O10S3 MolecularWeight: 546.55132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=NNC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)C1=O)C3=CC=C(C=C3)SOOO

Isomeric SMILES

CC1=NN(/C(=N\NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)/C1=O)C3=CC=C(C=C3)SOOO

InChI

InChI=1S/C18H18N4O10S3/c1-12-17(23)18(22(21-12)14-4-6-15(7-5-14)33-32-31-24)20-19-13-2-8-16(9-3-13)34(25,26)11-10-30-35(27,28)29/h2-9,19,24H,10-11H2,1H3,(H,27,28,29)/b20-18-