115787-91-2
8-ETHOXYPYRENE-1,3,6-TRISULFONIC ACID TRISODIUM SALT
Name8-ETHOXYPYRENE-1,3,6-TRISULFONIC ACID TRISODIUM SALT
FormulaC18 H11 O10 S3 . 3 Na
1Identification
【Name】
8-ETHOXYPYRENE-1,3,6-TRISULFONIC ACID TRISODIUM SALT
【CAS】
【MDL】
MFCD01862639
【English Synonyms】
【Formula】
C18 H11 O10 S3 . 3 Na
【MolWeight】
552.443
【Inchi】
InChI=1S/C18H14O10S3.3Na/c1-2-28-13-7-14(29(19,20)21)10-5-6-12-16(31(25,26)27)8-15(30(22,23)24)11-4-3-9(13)17(10)18(11)12;;;/h3-8H,2H2,1H3,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3
【InChIKey】
InChIKey=IEYJFAFWQYBTLS-UHFFFAOYSA-K
【SMILES】
CCOc1cc(c2ccc3c(cc(c4c3c2c1cc4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
【MOL File】
8-ETHOXYPYRENE-1,3,6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:10
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-ETHOXYPYRENE-1,3,6-TRISULFONIC ACID TRISODIUM SALT.cml