Base information

Cat. No.
CAS No.1345823-20-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C36H43N3O7S2
Molecular Weight 693.873
Exact Mass 693.254
XLogP3 7.9137
Mr 195.915
PSA 163.68
Sequence -
Atom number 91
Bond number 94
Ring number 4
Rotor number 14
Residues number 0
Canonical smiles C#CCNC(=O)CCCCCN1c2ccc(cc2C(/C/1=C\C=C\C=C\C1=[N+](CC)c2c(C1(C)C)cc(cc2)S(=O)(=O)[O-])(C)C)S(=O)(=O)O

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