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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-methylsulfonylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C17H16O4S3 MolecularWeight: 380.50154

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C17H16O4S3/c1-24(19,20)15-4-2-3-13(11-15)16(18)21-14-7-5-12(6-8-14)17-22-9-10-23-17/h2-8,11,17H,9-10H2,1H3