carbamimidoylazanium; 4-(6,6-disulfohexan-3-yldisulfanyl)hexane-1,1-disulfonate

Systemtic Name: carbamimidoylazanium; 4-(6,6-disulfohexan-3-yldisulfanyl)hexane-1,1-disulfonate Openeye Name: carbamimidoylammonium; 4-[(1-ethyl-4,4-disulfo-butyl)disulfanyl]hexane-1,1-disulfonate CAS Name: carbamimidoylammonium; 4-(6,6-disulfohexan-3-yldisulfanyl)hexane-1,1-disulfonate IUPAC Name: carbamimidoylazanium; 4-(6,6-disulfohexan-3-yldisulfanyl)hexane-1,1-disulfonate Traditional Name: amidinoammonium; 4-[(1-ethyl-4,4-disulfo-butyl)disulfanyl]hexane-1,1-disulfonate Formula: C14H36N6O12S6 MolecularWeight: 672.85864

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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-].C(=N)([NH3+])N.C(=N)([NH3+])N

Isomeric SMILES

CCC(CCC(S(=O)(=O)O)S(=O)(=O)O)SSC(CC)CCC(S(=O)(=O)[O-])S(=O)(=O)[O-].C(=N)([NH3+])N.C(=N)([NH3+])N

InChI

InChI=1S/C12H26O12S6.2CH5N3/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;2*2-1(3)4/h9-12H,3-8H2,1-2H3,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24);2*(H5,2,3,4)