1236290-34-8

MOL File 1236290-34-8.mol

Chemical Properties

Boiling point  597.6±60.0 °C(Predicted)
density  1.242±0.06 g/cm3(Predicted)
pka 3.19±0.10(Predicted)
InChI InChI=1S/C21H28N2O5S/c1-3-5-12-23(13-6-4-2)18-14-16(21(24)25)15-19(29(22,26)27)20(18)28-17-10-8-7-9-11-17/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,24,25)(H2,22,26,27)
InChIKey MYCDGAQAFHMODN-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(N(CCCC)CCCC)=C(OC2=CC=CC=C2)C(S(N)(=O)=O)=C1

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