[5-[4-(4-azanylperoxysulfanylphenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate

Systemtic Name: [5-[4-(4-azanylperoxysulfanylphenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate Openeye Name: [5-[4-(4-aminoperoxysulfanylphenyl)-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[4-[4-(aminodioxythio)phenyl]-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] ester IUPAC Name: [5-[4-(4-aminoperoxysulfanylphenyl)-3,6-dimethoxy-2-methylsulfonyloxyphenyl]-2-(3-methylbut-2-enoxy)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[4-[4-(aminoperoxythio)phenyl]-3,6-dimethoxy-2-methylsulfonyloxy-phenyl]-2-(3-methylbut-2-enoxy)phenyl] ester Formula: C27H31NO11S3 MolecularWeight: 641.73014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=C(C=C(C=C1)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)SOON)OC)OS(=O)(=O)C)C

Isomeric SMILES

CC(=CCOC1=C(C=C(C=C1)C2=C(C=C(C(=C2OS(=O)(=O)C)OC)C3=CC=C(C=C3)SOON)OC)OS(=O)(=O)C)C

InChI

InChI=1S/C27H31NO11S3/c1-17(2)13-14-35-22-12-9-19(15-23(22)36-41(5,29)30)25-24(33-3)16-21(26(34-4)27(25)37-42(6,31)32)18-7-10-20(11-8-18)40-39-38-28/h7-13,15-16H,14,28H2,1-6H3