62698-58-2
PHENOLPHTHALEIN COMPLEXON
NamePHENOLPHTHALEIN COMPLEXON
FormulaC30 H24 N2 O12 . 4 Na
1Identification
【Name】
PHENOLPHTHALEIN COMPLEXON
【CAS】
【MDL】
MFCD00068327
【English Synonyms】
【Formula】
C30 H24 N2 O12 . 4 Na
【MolWeight】
696.482
【Inchi】
InChI=1S/C30H28N2O12.4Na/c33-23-7-5-19(9-17(23)11-31(13-25(35)36)14-26(37)38)30(22-4-2-1-3-21(22)29(43)44-30)20-6-8-24(34)18(10-20)12-32(15-27(39)40)16-28(41)42;;;;/h1-10,33-34H,11-16H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42);;;;/q;4*+1/p-4
【InChIKey】
InChIKey=QUTZXSTYIVWJQG-UHFFFAOYSA-J
【SMILES】
c1ccc2c(c1)C(=O)OC2(c3ccc(c(c3)CN(CC(=O)[O-])CC(=O)[O-])O)c4ccc(c(c4)CN(CC(=O)[O-])CC(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]
【MOL File】
PHENOLPHTHALEIN COMP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:14
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PHENOLPHTHALEIN COMPLEXON.cml