DIBENZOTHIOLINE

pro_cas
59316-76-6
pro_cdbregno
CCD00821337
pro_formula
C31 H31 N3 O8 S2
pro_molWeight
637.731

basic_info

Product_Name: DIBENZOTHIOLINE
CAS: 59316-76-6
EnglishSynonyms: DIBENZOTHIOLINE
pro_mdlNumber: MFCD09837990
pro_acceptors: 11
pro_donors: 2
pro_smile: CC(C(=O)NCC(=O)OCc1cccc(n1)COC(=O)CNC(=O)C(C)SC(=O)c2ccccc2)SC(=O)c3ccccc3
InChi: InChI=1S/C31H31N3O8S2/c1-20(43-30(39)22-10-5-3-6-11-22)28(37)32-16-26(35)41-18-24-14-9-15-25(34-24)19-42-27(36)17-33-29(38)21(2)44-31(40)23-12-7-4-8-13-23/h3-15,20-21H,16-19H2,1-2H3,(H,32,37)(H,33,38)
InChiKey: InChIKey=ZMRSCEGEIMGQPR-UHFFFAOYSA-N

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