Base information

Cat. No.
CAS No.1284240-77-2
Product Name
MDL.

Computed Properties

Property NameProperty Value
Molecular Formula C39H42N2O14S4
Molecular Weight 891.016
Exact Mass 890.152
XLogP3 10.2632
Mr 227.692
PSA 297.38
Sequence -
Atom number 101
Bond number 106
Ring number 6
Rotor number 13
Residues number 0
Canonical smiles CCN1c2ccc3c(c2C(/C/1=C/C=C/C1=[N+](CCCCCC(=O)O)c2c(C1(C)C)c1cc(cc(c1cc2)S(=O)(=O)O)S(=O)(=O)O)(C)C)cc(cc3S(=O)(=O)[O-])S(=O)(=O)O

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