1,2-OCTANEDIONE, 1-[4-(PHENYLTHIO)PHENYL]-, 2-(O-BENZOYLOXIME)

CAS No.
253585-83-0
CCD No.
CCD01959494
Formula
C27 H27 N O3 S
MolWeight
445.58

Basic Information

Product Name: 1,2-OCTANEDIONE, 1-[4-(PHENYLTHIO)PHENYL]-, 2-(O-BENZOYLOXIME)
CAS: 253585-83-0
English Synonyms: 1,2-OCTANEDIONE, 1-[4-(PHENYLTHIO)PHENYL]-, 2-(O-BENZOYLOXIME)
MDL Number.: MFCD12911795
H bond acceptor: 4
H bond donor: 0
Smile: CCCCCC/C(=N\OC(=O)c1ccccc1)/C(=O)c2ccc(cc2)Sc3ccccc3
InChi: InChI=1S/C27H27NO3S/c1-2-3-4-11-16-25(28-31-27(30)22-12-7-5-8-13-22)26(29)21-17-19-24(20-18-21)32-23-14-9-6-10-15-23/h5-10,12-15,17-20H,2-4,11,16H2,1H3/b28-25+
InChiKey: InChIKey=LOCXTTRLSIDGPS-AZPGRJICSA-N

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