Base information

Cat. No.
CAS No.20123-80-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C12H10CaO10S2
Molecular Weight 418.41
Exact Mass 417.934
XLogP3 2.1654
Mr 76.9908
PSA 212.08
Sequence -
Atom number 35
Bond number 34
Ring number 2
Rotor number 2
Residues number 0
Canonical smiles Oc1ccc(c(c1)S(=O)(=O)[O-])O.Oc1ccc(c(c1)S(=O)(=O)[O-])O.[Ca+2]

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