Base information

Cat. No.
CAS No.6104-58-1
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C47H48N3NaO7S2
Molecular Weight 854.02
Exact Mass 853.283
XLogP3 11.1982
Mr 233.607
PSA 158.67
Sequence -
Atom number 108
Bond number 112
Ring number 6
Rotor number 15
Residues number 0
Canonical smiles CCOc1ccc(cc1)Nc1ccc(cc1)/C(=C\1/C=C/C(=[N+](\Cc2cccc(c2)S(=O)(=O)[O-])/CC)/C=C1C)/c1ccc(cc1C)N(Cc1cccc(c1)S(=O)(=O)[O-])CC.[Na+]

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