110995-88-5
8-DECYLOXYPYRENE-1,3,6-TRISULFONIC ACID TRISODIUM SALT
Name8-DECYLOXYPYRENE-1,3,6-TRISULFONIC ACID TRISODIUM SALT
FormulaC26 H27 O10 S3 . 3 Na
1Identification
【Name】
8-DECYLOXYPYRENE-1,3,6-TRISULFONIC ACID TRISODIUM SALT
【CAS】
【MDL】
MFCD00674507
【English Synonyms】
【Formula】
C26 H27 O10 S3 . 3 Na
【MolWeight】
664.657
【Inchi】
InChI=1S/C26H30O10S3.3Na/c1-2-3-4-5-6-7-8-9-14-36-21-15-22(37(27,28)29)18-12-13-20-24(39(33,34)35)16-23(38(30,31)32)19-11-10-17(21)25(18)26(19)20;;;/h10-13,15-16H,2-9,14H2,1H3,(H,27,28,29)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3
【InChIKey】
InChIKey=QCUZHGJICAILDV-UHFFFAOYSA-K
【SMILES】
CCCCCCCCCCOc1cc(c2ccc3c(cc(c4c3c2c1cc4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
【MOL File】
8-DECYLOXYPYRENE-1,3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:10
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-DECYLOXYPYRENE-1,3,6-TRISULFONIC ACID TRISODIUM SALT.cml