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

Systemtic Name: [4-[4-bromanyl-2,5-dimethoxy-3-(methoxymethoxymethyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-bromo-2,5-dimethoxy-3-(methoxymethoxymethyl)phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-bromo-2,5-dimethoxy-3-(methoxymethoxymethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-bromo-2,5-dimethoxy-3-(methoxymethoxymethyl)phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-bromo-2,5-dimethoxy-3-(methoxymethoxymethyl)phenyl]phenyl] ester Formula: C18H21BrO7S MolecularWeight: 461.32414

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Descriptors Computed from Structure

Canonical SMILES:

COCOCC1=C(C(=CC(=C1Br)OC)C2=CC=C(C=C2)OS(=O)(=O)C)OC

Isomeric SMILES

COCOCC1=C(C(=CC(=C1Br)OC)C2=CC=C(C=C2)OS(=O)(=O)C)OC

InChI

InChI=1S/C18H21BrO7S/c1-22-11-25-10-15-17(19)16(23-2)9-14(18(15)24-3)12-5-7-13(8-6-12)26-27(4,20)21/h5-9H,10-11H2,1-4H3