[2-[3-(4-methoxyphenyl)-2-oxidanyl-propyl]phenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [2-[3-(4-methoxyphenyl)-2-oxidanyl-propyl]phenyl] 4-bromanylbenzenesulfonate Openeye Name: [2-[2-hydroxy-3-(4-methoxyphenyl)propyl]phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-[2-hydroxy-3-(4-methoxyphenyl)propyl]phenyl] ester IUPAC Name: [2-[2-hydroxy-3-(4-methoxyphenyl)propyl]phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-[2-hydroxy-3-(4-methoxyphenyl)propyl]phenyl] ester Formula: C22H21BrO5S MolecularWeight: 477.36814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)Br)O

Isomeric SMILES

COC1=CC=C(C=C1)CC(CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C22H21BrO5S/c1-27-20-10-6-16(7-11-20)14-19(24)15-17-4-2-3-5-22(17)28-29(25,26)21-12-8-18(23)9-13-21/h2-13,19,24H,14-15H2,1H3