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

Systemtic Name: [4-(4-bromanyl-2-cyclopropyloxy-5-methoxy-3-methylsulfonyloxy-phenyl)phenyl] methanesulfonate Openeye Name: [4-[4-bromo-2-(cyclopropoxy)-5-methoxy-3-methylsulfonyloxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(4-bromo-2-cyclopropyloxy-5-methoxy-3-methylsulfonyloxyphenyl)phenyl] ester IUPAC Name: [4-(4-bromo-2-cyclopropyloxy-5-methoxy-3-methylsulfonyloxyphenyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-bromo-2-(cyclopropoxy)-5-methoxy-3-methylsulfonyloxy-phenyl]phenyl] ester Formula: C18H19BrO8S2 MolecularWeight: 507.37266

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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)OC3CC3)OS(=O)(=O)C)Br

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC3CC3)OS(=O)(=O)C)Br

InChI

InChI=1S/C18H19BrO8S2/c1-24-15-10-14(11-4-6-13(7-5-11)26-28(2,20)21)17(25-12-8-9-12)18(16(15)19)27-29(3,22)23/h4-7,10,12H,8-9H2,1-3H3