2-methyl-4-[3-(3-methyl-3-sulfo-butyl)sulfanylpropylsulfanyl]butane-2-sulfonic acid

Systemtic Name: 2-methyl-4-[3-(3-methyl-3-sulfo-butyl)sulfanylpropylsulfanyl]butane-2-sulfonic acid Openeye Name: 2-methyl-4-[3-(3-methyl-3-sulfo-butyl)sulfanylpropylsulfanyl]butane-2-sulfonic acid CAS Name: 2-methyl-4-[3-[(3-methyl-3-sulfobutyl)thio]propylthio]-2-butanesulfonic acid IUPAC Name: 2-methyl-4-[3-(3-methyl-3-sulfobutyl)sulfanylpropylsulfanyl]butane-2-sulfonic acid Traditional Name: 2-methyl-4-[3-[(3-methyl-3-sulfo-butyl)thio]propylthio]butane-2-sulfonic acid Formula: C13H28O6S4 MolecularWeight: 408.61782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSCCCSCCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(CCSCCCSCCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H28O6S4/c1-12(2,22(14,15)16)6-10-20-8-5-9-21-11-7-13(3,4)23(17,18)19/h5-11H2,1-4H3,(H,14,15,16)(H,17,18,19)