diethyl 2-chloranyl-2-[chloranyl-bis(phenylsulfonyl)methyl]sulfanyl-propanedioate

Systemtic Name: diethyl 2-chloranyl-2-[chloranyl-bis(phenylsulfonyl)methyl]sulfanyl-propanedioate Openeye Name: diethyl 2-[bis(benzenesulfonyl)-chloro-methyl]sulfanyl-2-chloro-propanedioate CAS Name: 2-[[bis(benzenesulfonyl)-chloromethyl]thio]-2-chloropropanedioic acid diethyl ester IUPAC Name: diethyl 2-[bis(benzenesulfonyl)-chloromethyl]sulfanyl-2-chloropropanedioate Traditional Name: 2-chloro-2-[[dibesyl(chloro)methyl]thio]malonic acid diethyl ester Formula: C20H20Cl2O8S3 MolecularWeight: 555.469

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2O8S3/c1-3-29-17(23)19(21,18(24)30-4-2)31-20(22,32(25,26)15-11-7-5-8-12-15)33(27,28)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3