76482-78-5
FLUORESCENT BRIGHTENER 264
NameFLUORESCENT BRIGHTENER 264
FormulaC40 H40 N12 O22 S6 . 6 Na
1Identification
【Name】
FLUORESCENT BRIGHTENER 264
【CAS】
【MDL】
MFCD09838478
【English Synonyms】
【Formula】
C40 H40 N12 O22 S6 . 6 Na
【MolWeight】
1371.15
【Inchi】
InChI=1S/C40H46N12O22S6.6Na/c53-15-11-51(12-16-54)39-47-35(45-37(49-39)43-29-21-27(75(57,58)59)7-9-31(29)77(63,64)65)41-25-5-3-23(33(19-25)79(69,70)71)1-2-24-4-6-26(20-34(24)80(72,73)74)42-36-46-38(50-40(48-36)52(13-17-55)14-18-56)44-30-22-28(76(60,61)62)8-10-32(30)78(66,67)68;;;;;;/h3-10,19-22,53-56H,1-2,11-18H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;;;/q;6*+1/p-6
【InChIKey】
InChIKey=QFYCZNSFODGOGC-UHFFFAOYSA-H
【SMILES】
c1cc(c(cc1Nc2nc(nc(n2)N(CCO)CCO)Nc3cc(ccc3S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])CCc4ccc(cc4S(=O)(=O)[O-])Nc5nc(nc(n5)N(CCO)CCO)Nc6cc(ccc6S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
【MOL File】
FLUORESCENT BRIGHTEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:8
H bond acceptor:34
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
FLUORESCENT BRIGHTENER 264.cml