58596-06-8
5-[N,N-BIS(METHYLSULFONYL)AMINO]-1-METHYLSULFONYLOXY-2-NAPHTHALENESULFONIC ACID SODIUM SALT
Name5-[N,N-BIS(METHYLSULFONYL)AMINO]-1-METHYLSULFONYLOXY-2-NAPHTHALENESULFONIC ACID SODIUM SALT
FormulaC13 H14 N O10 S4 . Na
1Identification
【Name】
5-[N,N-BIS(METHYLSULFONYL)AMINO]-1-METHYLSULFONYLOXY-2-NAPHTHALENESULFONIC ACID SODIUM SALT
【CAS】
【MDL】
MFCD18974648
【English Synonyms】
【Formula】
C13 H14 N O10 S4 . Na
【MolWeight】
495.505
【Inchi】
InChI=1S/C13H15NO10S4.Na/c1-25(15,16)14(26(2,17)18)11-6-4-5-10-9(11)7-8-12(28(21,22)23)13(10)24-27(3,19)20;/h4-8H,1-3H3,(H,21,22,23);/q;+1/p-1
【InChIKey】
InChIKey=UKAAIGAWWCHXAM-UHFFFAOYSA-M
【SMILES】
CS(=O)(=O)N(c1cccc2c1ccc(c2OS(=O)(=O)C)S(=O)(=O)[O-])S(=O)(=O)C.[Na+]
【MOL File】
5-[N,N-BIS(METHYLSUL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:11
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[N,N-BIS(METHYLSULFONYL)AMINO]-1-METHYLSULFONYLOXY-2-NAPHTHALENESULFONIC ACID SODIUM SALT.cml