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Inherent Properties, Identifiers and References
ChemSpider ID: 2092310
Empirical Formula: C31H27N3O5
Molecular Weight: 521.5632
Nominal Mass: 521 Da
Average Mass: 521.5632 Da
Monoisotopic Mass: 521.195071 Da
Systematic Name: [4-(9H-fluoren-9-yl)piperazin-1-yl]-[2-(4-methoxyphenoxy)-5-nitro​-phenyl]methanone
SMILES: [O-][N+](=O)c2cc(c(Oc1ccc(OC)cc1)cc2)C(=O)N6CCN(C5c3c(cccc3)c4ccc​cc45)CC6 Copy
InChI: InChI=1/C31H27N3O5/c1-38-22-11-13-23(14-12-22)39-29-15-10-21(34(3​6)37)20-28(29)31(35)33-18-16-32(17-19-33)30-26-8-4-2-6-24(26)25-7​-3-5-9-27(25)30/h2-15,20,30H,16-19H2,1H3 Copy
InChIKey: REGSETZROHMZEO-UHFFFAOYAZ
Std. InChI: InChI=1S/C31H27N3O5/c1-38-22-11-13-23(14-12-22)39-29-15-10-21(34(​36)37)20-28(29)31(35)33-18-16-32(17-19-33)30-26-8-4-2-6-24(26)25-​7-3-5-9-27(25)30/h2-15,20,30H,16-19H2,1H3 Copy
Std. InChIKey: REGSETZROHMZEO-UHFFFAOYSA-N
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