[4-(1,3-dithiolan-2-yl)phenyl] 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C17H15ClO4S3 MolecularWeight: 414.9466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClO4S3/c1-25(20,21)15-10-12(4-7-14(15)18)16(19)22-13-5-2-11(3-6-13)17-23-8-9-24-17/h2-7,10,17H,8-9H2,1H3