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

Systemtic Name: 3,3-bis(2-azanyl-1,3-thiazol-3-ium-3-yl)-2,4-disulfonyl-pentanedioic acid Openeye Name: 3,3-bis(2-aminothiazol-3-ium-3-yl)-2,4-disulfonyl-pentanedioic acid CAS Name: 3,3-bis(2-amino-3-thiazol-3-iumyl)-2,4-disulfonylpentanedioic acid IUPAC Name: 3,3-bis(2-amino-1,3-thiazol-3-ium-3-yl)-2,4-disulfonylpentanedioic acid Traditional Name: 3,3-bis(2-aminothiazol-3-ium-3-yl)-2,4-disulfonyl-glutaric acid Formula: C11H10N4O8S4+2 MolecularWeight: 454.4791

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=[N+]1C(C(=S(=O)=O)C(=O)O)(C(=S(=O)=O)C(=O)O)[N+]2=C(SC=C2)N)N

Isomeric SMILES

C1=CSC(=[N+]1C(C(=S(=O)=O)C(=O)O)(C(=S(=O)=O)C(=O)O)[N+]2=C(SC=C2)N)N

InChI

InChI=1S/C11H8N4O8S4/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/h1-4,12-13H,(H2,16,17,18,19)/p+2