(1,1'-Biphenyl)-ar,ar'-disulfonic acid, compd. with 1-(3-(dimethylamino)propyl)-1H-pyrrole-2,5-dione

HCID 217847

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Basic information

CAS: 39723-66-5
Standard SMILES: CN(C)CCCN1C(=O)C=CC1=O.O=S(=O)(O)c1cccc(-c2ccccc2)c1S(=O)(=O)O
InChIKey: XOSRFUWLRZMQKT-UHFFFAOYSA-N
Molecular formula: C21H24N2O8S2
Average molar mass: 496.6 g/mol
Monoisotopic mass: 496.09740808

Names & identifiers

Preferred name: (1,1'-Biphenyl)-ar,ar'-disulfonic acid, compd. with 1-(3-(dimethylamino)propyl)-1H-pyrrole-2,5-dione
IUPAC: 1-[3-(dimethylamino)propyl]pyrrole-2,5-dione;3-phenylbenzene-1,2-disulfonic acid

Names & synonyms

39723-66-51H-Pyrrole-2,5-dione, 1-(3-(dimethylamino)propyl)-, (1,1'-biphenyl)-ar,ar'-disulfonateRefChem:204053DTXSID10960328[1,1'-Biphenyl]-2,3-disulfonic acid--1-[3-(dimethylamino)propyl]-1H-pyrrole-2,5-dione (1/1)

Database identifiers

CAS: 39723-66-5
PubChem CID: 217847
DTXSID: DTXSID10960328

Properties

Computed structural properties

Topological polar surface area: 166 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 7
Heavy atoms: 33
Formal charge: 0
Complexity: 749

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