[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-bromanylbenzenesulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-bromanylbenzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-bromobenzenesulfonate CAS Name: 2-bromobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 2-bromobenzenesulfonate Traditional Name: 2-bromobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C16H15BrO4S3 MolecularWeight: 447.3869

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OS(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OS(=O)(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C16H15BrO4S3/c1-20-14-10-11(16-22-8-9-23-16)6-7-13(14)21-24(18,19)15-5-3-2-4-12(15)17/h2-7,10,16H,8-9H2,1H3