(1,1'-Biphenyl)-ar,ar'-disulfonic acid, compd. with 1-(2-(diethylamino)ethyl)-1H-pyrrole-2,5-dione

HCID 217843

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Basic information

CAS: 39723-64-3
Standard SMILES: CCN(CC)CCN1C(=O)C=CC1=O.O=S(=O)(O)c1cccc(-c2ccccc2)c1S(=O)(=O)O
InChIKey: UYOBFCNSAPLSMW-UHFFFAOYSA-N
Molecular formula: C22H26N2O8S2
Average molar mass: 510.6 g/mol
Monoisotopic mass: 510.11305814

Names & identifiers

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

Names & synonyms

39723-64-31-(2-(Diethylamino)ethyl)-1H-pyrrole-2,5-dione (1,1'-biphenyl)-ar,ar'-disulfonateDTXSID901928071H-Pyrrole-2,5-dione, 1-(2-(diethylamino)ethyl)-, (1,1'-biphenyl)-ar,ar'-disulfonateRefChem:204050DTXCID90115298[1,1'-Biphenyl]-2,3-disulfonic acid--1-[2-(diethylamino)ethyl]-1H-pyrrole-2,5-dione (1/1)

Database identifiers

CAS: 39723-64-3
PubChem CID: 217843
DTXSID: DTXSID90192807

Properties

Computed structural properties

Topological polar surface area: 166 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 8
Heavy atoms: 34
Formal charge: 0
Complexity: 760

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