4-(6,6-disulfohexan-3-yldisulfanyl)hexane-1,1-disulfonic acid

Systemtic Name: 4-(6,6-disulfohexan-3-yldisulfanyl)hexane-1,1-disulfonic acid Openeye Name: 4-[(1-ethyl-4,4-disulfo-butyl)disulfanyl]hexane-1,1-disulfonic acid CAS Name: 4-(6,6-disulfohexan-3-yldisulfanyl)hexane-1,1-disulfonic acid IUPAC Name: 4-(6,6-disulfohexan-3-yldisulfanyl)hexane-1,1-disulfonic acid Traditional Name: 4-[(1-ethyl-4,4-disulfo-butyl)disulfanyl]hexane-1,1-disulfonic acid Formula: C12H26O12S6 MolecularWeight: 554.71764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(S(=O)(=O)O)S(=O)(=O)O)SSC(CC)CCC(S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(CCC(S(=O)(=O)O)S(=O)(=O)O)SSC(CC)CCC(S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H26O12S6/c1-3-9(5-7-11(27(13,14)15)28(16,17)18)25-26-10(4-2)6-8-12(29(19,20)21)30(22,23)24/h9-12H,3-8H2,1-2H3,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)