[4-[4-bromanyl-2-(cyclopropylmethoxy)-5-methoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-bromanyl-2-(cyclopropylmethoxy)-5-methoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-bromo-2-(cyclopropylmethoxy)-5-methoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-bromo-2-(cyclopropylmethoxy)-5-methoxy-3-methylsulfonyloxyphenyl]phenyl] ester IUPAC Name: [4-[4-bromo-2-(cyclopropylmethoxy)-5-methoxy-3-methylsulfonyloxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-bromo-2-(cyclopropylmethoxy)-5-methoxy-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C19H21BrO8S2 MolecularWeight: 521.39924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OCC3CC3)OS(=O)(=O)C)Br

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OCC3CC3)OS(=O)(=O)C)Br

InChI

InChI=1S/C19H21BrO8S2/c1-25-16-10-15(13-6-8-14(9-7-13)27-29(2,21)22)18(26-11-12-4-5-12)19(17(16)20)28-30(3,23)24/h6-10,12H,4-5,11H2,1-3H3