[2-bromanyl-4-(hydroxymethyl)-6-methoxy-phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [2-bromanyl-4-(hydroxymethyl)-6-methoxy-phenyl] 4-chloranylbenzenesulfonate Openeye Name: [2-bromo-4-(hydroxymethyl)-6-methoxy-phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-bromo-4-(hydroxymethyl)-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-(hydroxymethyl)-6-methoxyphenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (2-bromo-6-methoxy-4-methylol-phenyl) ester Formula: C14H12BrClO5S MolecularWeight: 407.66408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrClO5S/c1-20-13-7-9(8-17)6-12(15)14(13)21-22(18,19)11-4-2-10(16)3-5-11/h2-7,17H,8H2,1H3