[4-methylsulfonyloxy-3-(phenylmethyl)sulfonyl-butyl] methanesulfonate

Systemtic Name: [4-methylsulfonyloxy-3-(phenylmethyl)sulfonyl-butyl] methanesulfonate Openeye Name: (3-benzylsulfonyl-4-methylsulfonyloxy-butyl) methanesulfonate CAS Name: methanesulfonic acid [4-methylsulfonyloxy-3-(phenylmethyl)sulfonylbutyl] ester IUPAC Name: (3-benzylsulfonyl-4-methylsulfonyloxybutyl) methanesulfonate Traditional Name: methanesulfonic acid (3-benzylsulfonyl-4-methylsulfonyloxy-butyl) ester Formula: C26H40O16S6 MolecularWeight: 800.9762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC(COS(=O)(=O)C)S(=O)(=O)CC1=CC=CC=C1.CS(=O)(=O)OCCC(COS(=O)(=O)C)S(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)OCCC(COS(=O)(=O)C)S(=O)(=O)CC1=CC=CC=C1.CS(=O)(=O)OCCC(COS(=O)(=O)C)S(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/2C13H20O8S3/c2*1-22(14,15)20-9-8-13(10-21-23(2,16)17)24(18,19)11-12-6-4-3-5-7-12/h2*3-7,13H,8-11H2,1-2H3