3,3-bis(2-azanyl-4,5-dihydro-1,3-thiazol-3-ium-3-yl)-2,4-disulfonyl-pentanedioic acid

Systemtic Name: 3,3-bis(2-azanyl-4,5-dihydro-1,3-thiazol-3-ium-3-yl)-2,4-disulfonyl-pentanedioic acid Openeye Name: 3,3-bis(2-amino-4,5-dihydrothiazol-3-ium-3-yl)-2,4-disulfonyl-pentanedioic acid CAS Name: 3,3-bis(2-amino-4,5-dihydrothiazol-3-ium-3-yl)-2,4-disulfonylpentanedioic acid IUPAC Name: 3,3-bis(2-amino-4,5-dihydro-1,3-thiazol-3-ium-3-yl)-2,4-disulfonylpentanedioic acid Traditional Name: 3,3-bis(2-amino-2-thiazolin-3-ium-3-yl)-2,4-disulfonyl-glutaric acid Formula: C11H14N4O8S4+2 MolecularWeight: 458.51086

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=[N+]1C(C(=S(=O)=O)C(=O)O)(C(=S(=O)=O)C(=O)O)[N+]2=C(SCC2)N)N

Isomeric SMILES

C1CSC(=[N+]1C(C(=S(=O)=O)C(=O)O)(C(=S(=O)=O)C(=O)O)[N+]2=C(SCC2)N)N

InChI

InChI=1S/C11H12N4O8S4/c12-9-14(1-3-24-9)11(5(7(16)17)26(20)21,6(8(18)19)27(22)23)15-2-4-25-10(15)13/h12-13H,1-4H2,(H2,16,17,18,19)/p+2