diethyl 2-[bis(phenylsulfonyl)methylsulfanyl]propanedioate

Systemtic Name: diethyl 2-[bis(phenylsulfonyl)methylsulfanyl]propanedioate Openeye Name: diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate CAS Name: 2-[bis(benzenesulfonyl)methylthio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[bis(benzenesulfonyl)methylsulfanyl]propanedioate Traditional Name: 2-(dibesylmethylthio)malonic acid diethyl ester Formula: C20H22O8S3 MolecularWeight: 486.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22O8S3/c1-3-27-18(21)17(19(22)28-4-2)29-20(30(23,24)15-11-7-5-8-12-15)31(25,26)16-13-9-6-10-14-16/h5-14,17,20H,3-4H2,1-2H3