[4-(2-bromanyl-1,1-dimethoxy-ethyl)-2-methoxy-phenyl] benzenesulfonate

Systemtic Name: [4-(2-bromanyl-1,1-dimethoxy-ethyl)-2-methoxy-phenyl] benzenesulfonate Openeye Name: [4-(2-bromo-1,1-dimethoxy-ethyl)-2-methoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-(2-bromo-1,1-dimethoxyethyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2-bromo-1,1-dimethoxyethyl)-2-methoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(2-bromo-1,1-dimethoxy-ethyl)-2-methoxy-phenyl] ester Formula: C17H19BrO6S MolecularWeight: 431.29816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CBr)(OC)OC)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)C(CBr)(OC)OC)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H19BrO6S/c1-21-16-11-13(17(12-18,22-2)23-3)9-10-15(16)24-25(19,20)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3