5-[3-(4,4-dimethyl-5-sulfo-pentyl)sulfinylpropylsulfinyl]-2,2-dimethyl-pentane-1-sulfonic acid

Systemtic Name: 5-[3-(4,4-dimethyl-5-sulfo-pentyl)sulfinylpropylsulfinyl]-2,2-dimethyl-pentane-1-sulfonic acid Openeye Name: 5-[3-(4,4-dimethyl-5-sulfo-pentyl)sulfinylpropylsulfinyl]-2,2-dimethyl-pentane-1-sulfonic acid CAS Name: 5-[3-(4,4-dimethyl-5-sulfopentyl)sulfinylpropylsulfinyl]-2,2-dimethyl-1-pentanesulfonic acid IUPAC Name: 5-[3-(4,4-dimethyl-5-sulfopentyl)sulfinylpropylsulfinyl]-2,2-dimethylpentane-1-sulfonic acid Traditional Name: 5-[3-(4,4-dimethyl-5-sulfo-pentyl)sulfinylpropylsulfinyl]-2,2-dimethyl-pentane-1-sulfonic acid Formula: C17H36O8S4 MolecularWeight: 496.72294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCS(=O)CCCS(=O)CCCC(C)(C)CS(=O)(=O)O)CS(=O)(=O)O

Isomeric SMILES

CC(C)(CCCS(=O)CCCS(=O)CCCC(C)(C)CS(=O)(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C17H36O8S4/c1-16(2,14-28(20,21)22)8-5-10-26(18)12-7-13-27(19)11-6-9-17(3,4)15-29(23,24)25/h5-15H2,1-4H3,(H,20,21,22)(H,23,24,25)