didodecyl 5-[3-[1-(6-tert-butyl-7-chloranyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxybenzene-1,3-dicarboxylate

Systemtic Name: didodecyl 5-[3-[1-(6-tert-butyl-7-chloranyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxybenzene-1,3-dicarboxylate Openeye Name: didodecyl 5-[3-[1-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxybenzene-1,3-dicarboxylate CAS Name: 5-[3-[1-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxybenzene-1,3-dicarboxylic acid didodecyl ester IUPAC Name: didodecyl 5-[3-[1-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxybenzene-1,3-dicarboxylate Traditional Name: 5-[3-[1-(6-tert-butyl-7-chloro-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)ethylsulfinamoyloxy]phenyl]sulfinamoyloxybenzene-1,3-dicarboxylic acid dilauryl ester Formula: C48H73ClN6O8S2 MolecularWeight: 961.71162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)OS(=O)NC2=CC(=CC=C2)OS(=O)NC(C)C3=NN=C4N3NC(=C4Cl)C(C)(C)C)C(=O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)OS(=O)NC2=CC(=CC=C2)OS(=O)NC(C)C3=NN=C4N3NC(=C4Cl)C(C)(C)C)C(=O)OCCCCCCCCCCCC

InChI

InChI=1S/C48H73ClN6O8S2/c1-7-9-11-13-15-17-19-21-23-25-30-60-46(56)37-32-38(47(57)61-31-26-24-22-20-18-16-14-12-10-8-2)34-41(33-37)63-65(59)54-39-28-27-29-40(35-39)62-64(58)53-36(3)44-50-51-45-42(49)43(48(4,5)6)52-55(44)45/h27-29,32-36,52-54H,7-26,30-31H2,1-6H3