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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-cyanobenzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C17H15NO4S3 MolecularWeight: 393.5003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OS(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OS(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H15NO4S3/c1-21-16-10-13(17-23-7-8-24-17)5-6-15(16)22-25(19,20)14-4-2-3-12(9-14)11-18/h2-6,9-10,17H,7-8H2,1H3