80095-44-9
4,5-二(己氧基)-2-硝基苯(甲)醛
Name
4,5-二(己氧基)-2-硝基苯(甲)醛
pro_formula
C14 H18 N2 O11 S
pro_molWeight
422.365
1Identification
【Name】
4,5-二(己氧基)-2-硝基苯(甲)醛
【CAS】
210418-06-7
;80095-44-9
【MDL】
MFCD09750659
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H18 N2 O11 S
【pro_molWeight】
422.365
【Inchi】
InChI=1S/C14H18N2O11S/c1-7(17)15-11-13(19)12(18)10(6-25-28(22,23)24)27-14(11)26-9-4-2-8(3-5-9)16(20)21/h2-5,10-14,18-19H,6H2,1H3,(H,15,17)(H,22,23,24)/t10-,11-,12-,13-,14-/m1/s1
【InChIKey】
InChIKey=UGJNMWVITHXKNR-DHGKCCLASA-N
【SMILES】
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])COS(=O)(=O)O)O)O
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:13
XLogP3:-2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4,5-二(己氧基)-2-硝基苯(甲)醛.cml
quick_release
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