5-[(2Z)-2-[2-oxidanylidene-3-sulfo-6-(trioxidanylsulfanyl)naphthalen-1-ylidene]hydrazinyl]-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(2Z)-2-[2-oxidanylidene-3-sulfo-6-(trioxidanylsulfanyl)naphthalen-1-ylidene]hydrazinyl]-1H-pyrazole-4-carboxylic acid Openeye Name: 5-[(2Z)-2-[2-oxo-3-sulfo-6-(trioxidanylsulfanyl)-1-naphthylidene]hydrazino]-1H-pyrazole-4-carboxylic acid CAS Name: 5-[(2Z)-2-[2-oxo-3-sulfo-6-(trioxidanylthio)-1-naphthalenylidene]hydrazinyl]-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-[(2Z)-2-[2-oxo-3-sulfo-6-(trioxidanylsulfanyl)naphthalen-1-ylidene]hydrazinyl]-1H-pyrazole-4-carboxylic acid Traditional Name: 5-[(N'Z)-N'-[2-keto-3-sulfo-6-(trioxidanylthio)-1-naphthylidene]hydrazino]-1H-pyrazole-4-carboxylic acid Formula: C14H10N4O9S2 MolecularWeight: 442.3806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1SOOO)C=C(C(=O)C2=NNC3=C(C=NN3)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC\2=C(C=C1SOOO)C=C(C(=O)/C2=N\NC3=C(C=NN3)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H10N4O9S2/c19-12-10(29(23,24)25)4-6-3-7(28-27-26-22)1-2-8(6)11(12)16-18-13-9(14(20)21)5-15-17-13/h1-5,22H,(H,20,21)(H2,15,17,18)(H,23,24,25)/b16-11-