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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-fluoranylbenzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-fluorobenzenesulfonate CAS Name: 3-fluorobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-fluorobenzenesulfonate Traditional Name: 3-fluorobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C16H15FO4S3 MolecularWeight: 386.481303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FO4S3/c1-20-15-9-11(16-22-7-8-23-16)5-6-14(15)21-24(18,19)13-4-2-3-12(17)10-13/h2-6,9-10,16H,7-8H2,1H3