19436-56-7
3-CHLORBENZYL-4-HYDROXY-5-KARBOXY-6-PHENYL-THIA-ALPHA-PYRON [GERMAN]
Name3-CHLORBENZYL-4-HYDROXY-5-KARBOXY-6-PHENYL-THIA-ALPHA-PYRON [GERMAN]
pro_formulaC19 H13 Cl O4 S
1Identification
【Name】
3-CHLORBENZYL-4-HYDROXY-5-KARBOXY-6-PHENYL-THIA-ALPHA-PYRON [GERMAN]
【CAS】
【MDL】
MFCD01680142
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H13 Cl O4 S
【pro_molWeight】
372.827
【Inchi】
InChI=1S/C19H13ClO4S/c20-13-8-6-11(7-9-13)10-14-16(21)15(18(22)23)17(25-19(14)24)12-4-2-1-3-5-12/h1-9,21H,10H2,(H,22,23)
【InChIKey】
InChIKey=AMJXXOPIBKQOLC-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2c(c(c(c(=O)s2)Cc3ccc(cc3)Cl)O)C(=O)O
【MOL File】
3-CHLORBENZYL-4-HYDR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-CHLORBENZYL-4-HYDROXY-5-KARBOXY-6-PHENYL-THIA-ALPHA-PYRON [GERMAN].cml