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2,5-bis(chloranyl)-4-[(3-oxidanylidene-1H-pyrazol-2-yl)methyl]benzenesulfonic acid

2,5-bis(chloranyl)-4-[(3-oxidanylidene-1H-pyrazol-2-yl)methyl]benzenesulfonic acid

Systemtic Name:2,5-bis(chloranyl)-4-[(3-oxidanylidene-1H-pyrazol-2-yl)methyl]benzenesulfonic acid
Openeye Name:2,5-dichloro-4-[(3-oxo-1H-pyrazol-2-yl)methyl]benzenesulfonic acid
CAS Name:2,5-dichloro-4-[(3-oxo-1H-pyrazol-2-yl)methyl]benzenesulfonic acid
IUPAC Name:2,5-dichloro-4-[(3-oxo-1H-pyrazol-2-yl)methyl]benzenesulfonic acid
Traditional Name:2,5-dichloro-4-[(5-keto-3-pyrazolin-1-yl)methyl]besylic acid
Formula: C10H8Cl2N2O4S
MolecularWeight: 323.15252
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Descriptors Computed from Structure

Canonical SMILES:

C1=CNN(C1=O)CC2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl


Isomeric SMILES

C1=CNN(C1=O)CC2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl


InChI

InChI=1S/C10H8Cl2N2O4S/c11-7-4-9(19(16,17)18)8(12)3-6(7)5-14-10(15)1-2-13-14/h1-4,13H,5H2,(H,16,17,18)


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