81417-89-2
2-AMINO-6-(2-(SULFOOXY)ETHYLSULFONYL)NAPHTHALENE-1-SULFONIC ACID
Name2-AMINO-6-(2-(SULFOOXY)ETHYLSULFONYL)NAPHTHALENE-1-SULFONIC ACID
1Identification
【Name】
2-AMINO-6-(2-(SULFOOXY)ETHYLSULFONYL)NAPHTHALENE-1-SULFONIC ACID
【CAS】
【MDL】
MFCD09751757
【English Synonyms】
【Formula】
C12 H13 N O9 S3
【MolWeight】
411.431
【Inchi】
InChI=1S/C12H13NO9S3/c13-11-4-1-8-7-9(2-3-10(8)12(11)24(16,17)18)23(14,15)6-5-22-25(19,20)21/h1-4,7H,5-6,13H2,(H,16,17,18)(H,19,20,21)
【InChIKey】
InChIKey=FSRFGSIFTOWRLP-UHFFFAOYSA-N
【SMILES】
c1cc(c(c2c1cc(cc2)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N
【MOL File】
2-AMINO-6-(2-(SULFOO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:10
XLogP3:-5.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-6-(2-(SULFOOXY)ETHYLSULFONYL)NAPHTHALENE-1-SULFONIC ACID.cml