4H-THIOPYRAN-4-ONE,TETRAHYDRO-3,5-BIS[(4-NITROPHENYL)METHYLENE]-1,1-DIOXIDE

CAS No.
108477-18-5
CCD No.
CCD04012513
Formula
C19 H14 N2 O6 S2
MolWeight
430.46

Basic Information

Product Name: 4H-THIOPYRAN-4-ONE,TETRAHYDRO-3,5-BIS[(4-NITROPHENYL)METHYLENE]-1,1-DIOXIDE
CAS: 108477-18-5
English Synonyms: 4H-THIOPYRAN-4-ONE,TETRAHYDRO-3,5-BIS[(4-NITROPHENYL)METHYLENE]-1,1-DIOXIDE
MDL Number.: MFCD18252892
H bond acceptor: 8
H bond donor: 0
Smile: c1cc(ccc1/C=C/2\CS(=O)(=O)C/C(=C\c3ccc(cc3)[N+](=O)[O-])/C2=S)[N+](=O)[O-]
InChi: InChI=1S/C19H14N2O6S2/c22-20(23)17-5-1-13(2-6-17)9-15-11-29(26,27)12-16(19(15)28)10-14-3-7-18(8-4-14)21(24)25/h1-10H,11-12H2/b15-9+,16-10+
InChiKey: InChIKey=MQSQOVXOZJHLBA-KAVGSWPWSA-N

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