Base information

Cat. No.
CAS No.111150-22-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C41H28N6Na4O17S4
Molecular Weight 1096.91
Exact Mass 1096
XLogP3 8.7174
Mr 234.05
PSA 419.85
Sequence -
Atom number 100
Bond number 101
Ring number 6
Rotor number 20
Residues number 0
Canonical smiles O=C(Nc1cc(cc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)[O-])C(=O)Nc1ccc(cc1)S(=O)(=O)[O-])Nc1cc(cc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)[O-])C(=O)Nc1ccc(cc1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

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