5-(5-butyl-2-oxidanidyl-pyrazol-2-ium-1-yl)benzene-1,3-disulfonic acid

Systemtic Name: 5-(5-butyl-2-oxidanidyl-pyrazol-2-ium-1-yl)benzene-1,3-disulfonic acid Openeye Name: 5-(5-butyl-2-oxido-pyrazol-2-ium-1-yl)benzene-1,3-disulfonic acid CAS Name: 5-(5-butyl-2-oxido-1-pyrazol-2-iumyl)benzene-1,3-disulfonic acid IUPAC Name: 5-(5-butyl-2-oxidopyrazol-2-ium-1-yl)benzene-1,3-disulfonic acid Traditional Name: 5-(5-butyl-2-oxido-pyrazol-2-ium-1-yl)benzene-1,3-disulfonic acid Formula: C13H16N2O7S2 MolecularWeight: 376.40534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=[N+](N1C2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)[O-]

Isomeric SMILES

CCCCC1=CC=[N+](N1C2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)[O-]

InChI

InChI=1S/C13H16N2O7S2/c1-2-3-4-10-5-6-14(16)15(10)11-7-12(23(17,18)19)9-13(8-11)24(20,21)22/h5-9H,2-4H2,1H3,(H,17,18,19)(H,20,21,22)