Chem
J-GLOBAL ID:200907038690892283
Nikkaji number:J319.142G
Argun l
イリトレン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C34 H24 CaCl2 N4 O4
Molecular formula furigana:
C34-H24-CA-CL2-N4-O4
Molecular weight:
663.570
InChI:
InChI=1S/2C17H13ClN2O2.Ca/c2*18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-20(19-17)15-4-2-1-3-5-15;/h2*1-9,11H,10H2,(H,21,22);/q;;+2/p-2
InChI key:
CAQGVXNKMLYRMF-UHFFFAOYSA-L
SMILES:
Clc1ccc(cc1)c1nn(cc1CC(=O)O[Ca]OC(=O)Cc1cn(nc1c1ccc(Cl)cc1)c1ccccc1)c1ccccc1
Systematic name (4):
ビス[1-フェニル-3-(4-クロロフェニル)-1H-ピラゾール-4-酢酸]カルシウム
ビス[3-(4-クロロフェニル)-1-フェニル-1H-ピラゾール-4-酢酸]カルシウム
({2-[3-(4-クロロフェニル)-1-フェニル-1H-ピラゾール-4-イル]アセチル}オキシ)カルシオ 2-[3-(4-クロロフェニル)-1-フェニル-1H-ピラゾール-4-イル]アセタート
({2-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]acetyl}oxy)calcio 2-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]acetate
Other name (9):
CAS registry number:
75821-71-5
Regulation number (1):
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