5,5-DIMETHYL-2-((2-NITROPHENYL)THIO)-3-OXO-1-CYCLOHEXEN-1-YL 2-CHLOROBENZOATE

CAS No.
CCD No.
CCD00171815
Formula
C21 H18 Cl N O5 S
MolWeight
431.894

Basic Information

Product Name: 5,5-DIMETHYL-2-((2-NITROPHENYL)THIO)-3-OXO-1-CYCLOHEXEN-1-YL 2-CHLOROBENZOATE
English Synonyms: 5,5-DIMETHYL-2-((2-NITROPHENYL)THIO)-3-OXO-1-CYCLOHEXEN-1-YL 2-CHLOROBENZOATE
MDL Number.: MFCD00839148
H bond acceptor: 6
H bond donor: 0
Smile: CC1(CC(=C(C(=O)C1)Sc2ccccc2[N+](=O)[O-])OC(=O)c3ccccc3Cl)C
InChi: InChI=1S/C21H18ClNO5S/c1-21(2)11-16(24)19(29-18-10-6-5-9-15(18)23(26)27)17(12-21)28-20(25)13-7-3-4-8-14(13)22/h3-10H,11-12H2,1-2H3
InChiKey: InChIKey=IMLOGDONUFNSQY-UHFFFAOYSA-N

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