41261-80-7
ANILINE-3-BETA-ETHYL SULFONYL SULFATE-6-SULFONIC ACID
NameANILINE-3-BETA-ETHYL SULFONYL SULFATE-6-SULFONIC ACID
1Identification
【Name】
ANILINE-3-BETA-ETHYL SULFONYL SULFATE-6-SULFONIC ACID
【CAS】
【MDL】
MFCD08458220
【English Synonyms】
【Formula】
C8 H11 N O9 S3
【MolWeight】
361.371
【Inchi】
InChI=1S/C8H11NO9S3/c9-7-5-6(1-2-8(7)20(12,13)14)19(10,11)4-3-18-21(15,16)17/h1-2,5H,3-4,9H2,(H,12,13,14)(H,15,16,17)
【InChIKey】
InChIKey=DBBOIFXMBBZYJA-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1S(=O)(=O)CCOS(=O)(=O)O)N)S(=O)(=O)O
【MOL File】
ANILINE-3-BETA-ETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:10
XLogP3:-6.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ANILINE-3-BETA-ETHYL SULFONYL SULFATE-6-SULFONIC ACID.cml