922527-87-5
2-METHOXY-5-[2-(3,4,5-TRIMETHOXYPHENYL)ETHYL]-PHENOL, 1-(HYDROGEN SULFATE), SODIUM SALT
Name2-METHOXY-5-[2-(3,4,5-TRIMETHOXYPHENYL)ETHYL]-PHENOL, 1-(HYDROGEN SULFATE), SODIUM SALT
pro_formulaC18 H21 O8 S . Na
1Identification
【Name】
2-METHOXY-5-[2-(3,4,5-TRIMETHOXYPHENYL)ETHYL]-PHENOL, 1-(HYDROGEN SULFATE), SODIUM SALT
【CAS】
【MDL】
MFCD09839664
【EnglishSynonyms】
【pro_formula】
C18 H21 O8 S . Na
【pro_molWeight】
420.412
【Inchi】
InChI=1S/C18H22O8S.Na/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3;/h7-11H,5-6H2,1-4H3,(H,19,20,21);/q;+1/p-1
【InChIKey】
InChIKey=UVJBXQUOJUISLF-UHFFFAOYSA-M
【SMILES】
COc1ccc(cc1OS(=O)(=O)[O-])CCc2cc(c(c(c2)OC)OC)OC.[Na+]
【MOL File】
2-METHOXY-5-[2-(3,4,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:8
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-METHOXY-5-[2-(3,4,5-TRIMETHOXYPHENYL)ETHYL]-PHENOL, 1-(HYDROGEN SULFATE), SODIUM SALT.cml