42783-06-2
([4-[(3,5-DINITRO-2-THIENYL)DIAZENYL]PHENYL]IMINO)DI-2,1-ETHANEDIYLDIACETATE
Name
([4-[(3,5-DINITRO-2-THIENYL)DIAZENYL]PHENYL]IMINO)DI-2,1-ETHANEDIYLDIACETATE
Formula
C18 H19 N5 O8 S
MolWeight
465.441
1Identification
【Name】
([4-[(3,5-DINITRO-2-THIENYL)DIAZENYL]PHENYL]IMINO)DI-2,1-ETHANEDIYLDIACETATE
【CAS】
【MDL】
MFCD23379972
【English Synonyms】
【Formula】
C18 H19 N5 O8 S
【MolWeight】
465.441
【Inchi】
InChI=1S/C18H19N5O8S/c1-12(24)30-9-7-21(8-10-31-13(2)25)15-5-3-14(4-6-15)19-20-18-16(22(26)27)11-17(32-18)23(28)29/h3-6,11H,7-10H2,1-2H3/b20-19+
【InChIKey】
InChIKey=YPNBSXJSFUWYMV-FMQUCBEESA-N
【SMILES】
CC(=O)OCCN(CCOC(=O)C)c1ccc(cc1)/N=N/c2c(cc(s2)[N+](=O)[O-])[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:13
XLogP3:3.0
Bulk/Fine:F