Base information

Cat. No.
CAS No.10134-33-5
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C36H22N7Na3O10S3
Molecular Weight 877.765
Exact Mass 877.028
XLogP3 12.2161
Mr 201.264
PSA 317.15
Sequence -
Atom number 81
Bond number 84
Ring number 7
Rotor number 9
Residues number 0
Canonical smiles Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)[O-])/N=N/c1ccc(c2c1cc(cc2)S(=O)(=O)[O-])/N=N/c1ccc(c2c1cc(cc2)S(=O)(=O)[O-])/N=N/c1ccccc1.[Na+].[Na+].[Na+]

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