2-butyl-1,3-bis(methylsulfonyl)benzene

Systemtic Name: 2-butyl-1,3-bis(methylsulfonyl)benzene Openeye Name: 2-butyl-1,3-bis(methylsulfonyl)benzene CAS Name: 2-butyl-1,3-bis(methylsulfonyl)benzene IUPAC Name: 2-butyl-1,3-bis(methylsulfonyl)benzene Traditional Name: 2-butyl-1,3-dimesyl-benzene Formula: C12H18O4S2 MolecularWeight: 290.39892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CCCCC1=C(C=CC=C1S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C12H18O4S2/c1-4-5-7-10-11(17(2,13)14)8-6-9-12(10)18(3,15)16/h6,8-9H,4-5,7H2,1-3H3