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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-cyanobenzenesulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 4-cyanobenzenesulfonate Traditional Name: 4-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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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