4-isocyano-5-methyl-2-[5-sulfo-2-(trioxidanylsulfanyl)phenyl]pyrazole-3-diazonium

Systemtic Name: 4-isocyano-5-methyl-2-[5-sulfo-2-(trioxidanylsulfanyl)phenyl]pyrazole-3-diazonium Openeye Name: 4-isocyano-5-methyl-2-[5-sulfo-2-(trioxidanylsulfanyl)phenyl]pyrazole-3-diazonium CAS Name: 4-isocyano-5-methyl-2-[5-sulfo-2-(trioxidanylthio)phenyl]-3-pyrazolediazonium IUPAC Name: 4-isocyano-5-methyl-2-[5-sulfo-2-(trioxidanylsulfanyl)phenyl]pyrazole-3-diazonium Traditional Name: 4-isocyano-5-methyl-2-[5-sulfo-2-(trioxidanylthio)phenyl]pyrazole-3-diazonium Formula: C11H8N5O6S2+ MolecularWeight: 370.34112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+]#[C-])[N+]#N)C2=C(C=CC(=C2)S(=O)(=O)O)SOOO

Isomeric SMILES

CC1=NN(C(=C1[N+]#[C-])[N+]#N)C2=C(C=CC(=C2)S(=O)(=O)O)SOOO

InChI

InChI=1S/C11H7N5O6S2/c1-6-10(13-2)11(14-12)16(15-6)8-5-7(24(18,19)20)3-4-9(8)23-22-21-17/h3-5H,1H3,(H-,17,18,19,20)/p+1