60958-41-0
4-[4-[(2-METHOXY-5-METHYL-4-[[2-(SULFOOXY)ETHYL]SULFONYL]PHENYL)DIAZENYL]-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL]BENZENESULFONIC ACID
Name
4-[4-[(2-METHOXY-5-METHYL-4-[[2-(SULFOOXY)ETHYL]SULFONYL]PHENYL)DIAZENYL]-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL]BENZENESULFONIC ACID
pro_formula
C20 H22 N4 O11 S3
pro_molWeight
590.609
1Identification
【Name】
4-[4-[(2-METHOXY-5-METHYL-4-[[2-(SULFOOXY)ETHYL]SULFONYL]PHENYL)DIAZENYL]-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL]BENZENESULFONIC ACID
【CAS】
【MDL】
MFCD23142771
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H22 N4 O11 S3
【pro_molWeight】
590.609
【Inchi】
InChI=1S/C20H22N4O11S3/c1-12-10-16(17(34-3)11-18(12)36(26,27)9-8-35-38(31,32)33)21-22-19-13(2)23-24(20(19)25)14-4-6-15(7-5-14)37(28,29)30/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33)/b22-21+
【InChIKey】
InChIKey=ZLLJOZOHXNAJLK-QURGRASLSA-N
【SMILES】
Cc1cc(c(cc1S(=O)(=O)CCOS(=O)(=O)O)OC)/N=N/C2C(=NN(C2=O)c3ccc(cc3)S(=O)(=O)O)C
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:15
XLogP3:-2.0
Bulk/Fine:F