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Amb1003320

Duplicate ID
Molecule Name octyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate
SmilesCCCCCCCCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)[N+](=O)[O-]
Cas Number
InchiKeyUKSHIOFZRHKWLZ-UHFFFAOYSA-N
InChi InChI=1S/C29H28N2O7/c1-2-3-4-5-6-7-18-37-29(34)20-8-10-21(11-9-20)30-27(32)25-17-16-24(19-26(25)28(30)33)38-23-14-12-22(13-15-23)31(35)36/h8-17,19H,2-7,18H2,1H3
Formula C29H28N2O7
Molecular weight 516.542
Rings 4
logP 7.2932
PSA 118.73
MR 147.225
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