Cas no 71038-61-4 (Tetrasodium;perylene-3,4,9,10-tetracarboxylate)

Tetrasodium;perylene-3,4,9,10-tetracarboxylate structure
71038-61-4 structure
Product Name:Tetrasodium;perylene-3,4,9,10-tetracarboxylate
CAS No:71038-61-4
MF:C24H8Na4O8
MW:516.274610519409
CID:2670595
Update Time:2023-08-06

Tetrasodium;perylene-3,4,9,10-tetracarboxylate Chemical and Physical Properties

Names and Identifiers

    • 3,4,9,10-Perylenetetracarboxylic acid tetrasodium salt
    • Tetrasodium;perylene-3,4,9,10-tetracarboxylate
    • Inchi: 1S/C24H12O8.4Na/c25-21(26)13-5-1-9-10-2-6-15(23(29)30)20-16(24(31)32)8-4-12(18(10)20)11-3-7-14(22(27)28)19(13)17(9)11;;;;/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32);;;;/q;4*+1/p-4
    • InChI Key: ZWDJILAIDVILCQ-UHFFFAOYSA-J
    • SMILES: [Na+].[Na+].[Na+].[Na+].[O-]C(C1=CC=C2C3C=CC(C(=O)[O-])=C4C(C(=O)[O-])=CC=C(C5C=CC(C(=O)[O-])=C1C2=5)C=34)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 0
  • Complexity: 684
  • Topological Polar Surface Area: 161
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