[5-[(2-butylsulfonyloxy-2-oxidanidyl-3-oxidanylidene-1H-isoindol-2-ium-5-yl)oxy]-2-oxidanidyl-3-oxidanylidene-1H-isoindol-2-ium-2-yl] butane-1-sulfonate

Systemtic Name: [5-[(2-butylsulfonyloxy-2-oxidanidyl-3-oxidanylidene-1H-isoindol-2-ium-5-yl)oxy]-2-oxidanidyl-3-oxidanylidene-1H-isoindol-2-ium-2-yl] butane-1-sulfonate Openeye Name: [6-(2-butylsulfonyloxy-2-oxido-3-oxo-isoindolin-2-ium-5-yl)oxy-2-oxido-1-oxo-isoindolin-2-ium-2-yl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [5-[(2-butylsulfonyloxy-2-oxido-3-oxo-1H-isoindol-2-ium-5-yl)oxy]-2-oxido-3-oxo-1H-isoindol-2-ium-2-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [6-(2-butylsulfonyloxy-3-keto-2-oxido-isoindolin-2-ium-5-yl)oxy-1-keto-2-oxido-isoindolin-2-ium-2-yl] ester Formula: C24H28N2O11S2 MolecularWeight: 584.61592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)O[N+]1(CC2=C(C1=O)C=C(C=C2)OC3=CC4=C(C[N+](C4=O)([O-])OS(=O)(=O)CCCC)C=C3)[O-]

Isomeric SMILES

CCCCS(=O)(=O)O[N+]1(CC2=C(C1=O)C=C(C=C2)OC3=CC4=C(C[N+](C4=O)([O-])OS(=O)(=O)CCCC)C=C3)[O-]

InChI

InChI=1S/C24H28N2O11S2/c1-3-5-11-38(31,32)36-25(29)15-17-7-9-19(13-21(17)23(25)27)35-20-10-8-18-16-26(30,24(28)22(18)14-20)37-39(33,34)12-6-4-2/h7-10,13-14H,3-6,11-12,15-16H2,1-2H3