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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-fluoranyl-4-methoxy-benzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-fluoro-4-methoxy-benzenesulfonate CAS Name: 3-fluoro-4-methoxybenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-fluoro-4-methoxybenzenesulfonate Traditional Name: 3-fluoro-4-methoxy-benzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C17H17FO5S3 MolecularWeight: 416.507283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)F

InChI

InChI=1S/C17H17FO5S3/c1-21-14-6-4-12(10-13(14)18)26(19,20)23-15-5-3-11(9-16(15)22-2)17-24-7-8-25-17/h3-6,9-10,17H,7-8H2,1-2H3