[2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 3,5-bis(chloranyl)benzenesulfonate

Systemtic Name: [2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 3,5-bis(chloranyl)benzenesulfonate Openeye Name: [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 3,5-dichlorobenzenesulfonate CAS Name: 3,5-dichlorobenzenesulfonic acid [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl] 3,5-dichlorobenzenesulfonate Traditional Name: 3,5-dichlorobenzenesulfonic acid [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] ester Formula: C16H13BrCl2O4S3 MolecularWeight: 516.27702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrCl2O4S3/c1-22-14-5-9(16-24-2-3-25-16)4-13(17)15(14)23-26(20,21)12-7-10(18)6-11(19)8-12/h4-8,16H,2-3H2,1H3