[4-[4-bromanyl-3-(hydroxymethyl)-2,5-dimethoxy-phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[4-bromanyl-3-(hydroxymethyl)-2,5-dimethoxy-phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-bromo-3-(hydroxymethyl)-2,5-dimethoxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-bromo-3-(hydroxymethyl)-2,5-dimethoxyphenyl]phenyl] ester IUPAC Name: [4-[4-bromo-3-(hydroxymethyl)-2,5-dimethoxyphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(4-bromo-2,5-dimethoxy-3-methylol-phenyl)phenyl] ester Formula: C16H17BrO6S MolecularWeight: 417.27158

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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)OC)CO)Br

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)OS(=O)(=O)C)OC)CO)Br

InChI

InChI=1S/C16H17BrO6S/c1-21-14-8-12(16(22-2)13(9-18)15(14)17)10-4-6-11(7-5-10)23-24(3,19)20/h4-8,18H,9H2,1-3H3