Base information

Cat. No.
CAS No.172616-80-7
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C46H52ClN2NaO6S2
Molecular Weight 851.488
Exact Mass 850.285
XLogP3 12.5016
Mr 244.051
PSA 134.58
Sequence -
Atom number 110
Bond number 115
Ring number 7
Rotor number 13
Residues number 0
Canonical smiles ClC1=C(CCCC1=CC=C1N(CCCCS(=O)(=O)O)c2c(C1(C)C)c1ccccc1cc2)C=CC1=[N+](CCCCS(=O)(=O)[O-])c2c(C1(C)C)c1ccccc1cc2.[NaH]

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