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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-bromanylbenzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 4-bromobenzenesulfonate Traditional Name: 4-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=C(C=C3)Br

Isomeric SMILES

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

InChI

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