carbamimidoylazanium; 6-(6,6-disulfohexyldisulfanyl)hexane-1,1-disulfonate

Systemtic Name: carbamimidoylazanium; 6-(6,6-disulfohexyldisulfanyl)hexane-1,1-disulfonate Openeye Name: carbamimidoylammonium; 6-(6,6-disulfohexyldisulfanyl)hexane-1,1-disulfonate CAS Name: carbamimidoylammonium; 6-(6,6-disulfohexyldisulfanyl)hexane-1,1-disulfonate IUPAC Name: carbamimidoylazanium; 6-(6,6-disulfohexyldisulfanyl)hexane-1,1-disulfonate Traditional Name: amidinoammonium; 6-(6,6-disulfohexyldisulfanyl)hexane-1,1-disulfonate Formula: C14H36N6O12S6 MolecularWeight: 672.85864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H26O12S6.2CH5N3/c13-27(14,15)11(28(16,17)18)7-3-1-5-9-25-26-10-6-2-4-8-12(29(19,20)21)30(22,23)24;2*2-1(3)4/h11-12H,1-10H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24);2*(H5,2,3,4)