ethyl 5-[4-(bromomethyl)-3-ethoxysulfonyl-phenyl]-2-methyl-benzenesulfonate

Systemtic Name: ethyl 5-[4-(bromomethyl)-3-ethoxysulfonyl-phenyl]-2-methyl-benzenesulfonate Openeye Name: ethyl 5-[4-(bromomethyl)-3-ethoxysulfonyl-phenyl]-2-methyl-benzenesulfonate CAS Name: 5-[4-(bromomethyl)-3-ethoxysulfonylphenyl]-2-methylbenzenesulfonic acid ethyl ester IUPAC Name: ethyl 5-[4-(bromomethyl)-3-ethoxysulfonylphenyl]-2-methylbenzenesulfonate Traditional Name: 5-[4-(bromomethyl)-3-ethoxysulfonyl-phenyl]-2-methyl-benzenesulfonic acid ethyl ester Formula: C18H21BrO6S2 MolecularWeight: 477.38974

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C1=C(C=CC(=C1)C2=CC(=C(C=C2)CBr)S(=O)(=O)OCC)C

Isomeric SMILES

CCOS(=O)(=O)C1=C(C=CC(=C1)C2=CC(=C(C=C2)CBr)S(=O)(=O)OCC)C

InChI

InChI=1S/C18H21BrO6S2/c1-4-24-26(20,21)17-10-14(7-6-13(17)3)15-8-9-16(12-19)18(11-15)27(22,23)25-5-2/h6-11H,4-5,12H2,1-3H3