dimethyl 2-[2-[bis(phenylsulfonyl)methylsulfanyl]ethanoyl]butanedioate

Systemtic Name: dimethyl 2-[2-[bis(phenylsulfonyl)methylsulfanyl]ethanoyl]butanedioate Openeye Name: dimethyl 2-[2-[bis(benzenesulfonyl)methylsulfanyl]acetyl]butanedioate CAS Name: 2-[2-[bis(benzenesulfonyl)methylthio]-1-oxoethyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[bis(benzenesulfonyl)methylsulfanyl]acetyl]butanedioate Traditional Name: 2-[2-(dibesylmethylthio)acetyl]succinic acid dimethyl ester Formula: C21H22O9S3 MolecularWeight: 514.58898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)CSC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)CC(C(=O)CSC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H22O9S3/c1-29-19(23)13-17(20(24)30-2)18(22)14-31-21(32(25,26)15-9-5-3-6-10-15)33(27,28)16-11-7-4-8-12-16/h3-12,17,21H,13-14H2,1-2H3