[2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [2-bromanyl-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 4-chloranylbenzenesulfonate Openeye Name: [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxy-phenyl] ester Formula: C16H14BrClO4S3 MolecularWeight: 481.83196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrClO4S3/c1-21-14-9-10(16-23-6-7-24-16)8-13(17)15(14)22-25(19,20)12-4-2-11(18)3-5-12/h2-5,8-9,16H,6-7H2,1H3