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

HCID 217845

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Basic information

CAS: 39723-65-4
Standard SMILES: CCN(CC)CCCN1C(=O)C=CC1=O.O=S(=O)(O)c1cccc(-c2ccccc2)c1S(=O)(=O)O
InChIKey: VYXKBXOFVFUASS-UHFFFAOYSA-N
Molecular formula: C23H28N2O8S2
Average molar mass: 524.6 g/mol
Monoisotopic mass: 524.1287082

Names & identifiers

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

Names & synonyms

39723-65-41-(3-(Diethylamino)propyl)-1H-pyrrole-2,5-dione (1,1'-biphenyl)-ar,ar'-disulfonateDTXSID501928081H-Pyrrole-2,5-dione, 1-(3-(diethylamino)propyl)-, (1,1'-biphenyl)-ar,ar'-disulfonateRefChem:204052DTXCID50115299[1,1'-Biphenyl]-2,3-disulfonic acid--1-[3-(diethylamino)propyl]-1H-pyrrole-2,5-dione (1/1)

Database identifiers

CAS: 39723-65-4
PubChem CID: 217845
DTXSID: DTXSID50192808

Properties

Computed structural properties

Topological polar surface area: 166 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 9
Heavy atoms: 35
Formal charge: 0
Complexity: 773

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