Acid Red 52 | SBID = 162 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 0
PubChem TPSA/Å2: 147.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 8.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3:
Sum Formula: C27H29N2NaO7S2
M / g/mol: 580.646
Complexity: 1150.0
Number of Conformers: 0.0

Identifiers

  • Tags: typical guest, dye
  • Name: Acid Red 52
  • Preferred Abbreviation: Acid Red 52
  • IUPAC Name: sodium;4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,3-disulfonate
  • CAS: 3520-42-1
  • CID: 9916275
  • InChiKey: SXQCTESRRZBPHJ-UHFFFAOYSA-M
  • InChi: InChI=1S/C27H30N2O7S2.Na/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35;/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1
  • CanoSmiles: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]
  • IsoSmiles: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]