851962-15-7
2-[[3,5-DICHLORO-4-[[17-(2-PYRIDINYLDITHIO)-3,6,9,12,15-PENTAOXAHEPTADEC-1-YL]OXY]PHENYL]AMINO]-BENZOIC ACID
Name2-[[3,5-DICHLORO-4-[[17-(2-PYRIDINYLDITHIO)-3,6,9,12,15-PENTAOXAHEPTADEC-1-YL]OXY]PHENYL]AMINO]-BENZOIC ACID
FormulaC30 H36 Cl2 N2 O8 S2
1Identification
【Name】
2-[[3,5-DICHLORO-4-[[17-(2-PYRIDINYLDITHIO)-3,6,9,12,15-PENTAOXAHEPTADEC-1-YL]OXY]PHENYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD17017962
【English Synonyms】
【Formula】
C30 H36 Cl2 N2 O8 S2
【MolWeight】
687.658
【Inchi】
InChI=1S/C30H36Cl2N2O8S2/c31-25-21-23(34-27-6-2-1-5-24(27)30(35)36)22-26(32)29(25)42-18-17-40-14-13-38-10-9-37-11-12-39-15-16-41-19-20-43-44-28-7-3-4-8-33-28/h1-8,21-22,34H,9-20H2,(H,35,36)
【InChIKey】
InChIKey=HUPIPQAHQXAMLE-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCOCCOCCOCCOCCOCCSSc3ccccn3)Cl
【MOL File】
2-[[3,5-DICHLORO-4-[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:10
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[3,5-DICHLORO-4-[[17-(2-PYRIDINYLDITHIO)-3,6,9,12,15-PENTAOXAHEPTADEC-1-YL]OXY]PHENYL]AMINO]-BENZOIC ACID.cml