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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C19H20O5S3 MolecularWeight: 424.5541

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

InChI

InChI=1S/C19H20O5S3/c1-23-17-11-15(19-25-8-9-26-19)6-7-16(17)24-18(20)14-5-3-4-13(10-14)12-27(2,21)22/h3-7,10-11,19H,8-9,12H2,1-2H3