3,3-bis(2-azanyl-5,6-dihydro-4H-1,3-thiazin-3-ium-3-yl)-2,4-disulfonyl-pentanedioic acid

Systemtic Name: 3,3-bis(2-azanyl-5,6-dihydro-4H-1,3-thiazin-3-ium-3-yl)-2,4-disulfonyl-pentanedioic acid Openeye Name: 3,3-bis(2-amino-5,6-dihydro-4H-1,3-thiazin-3-ium-3-yl)-2,4-disulfonyl-pentanedioic acid CAS Name: 3,3-bis(2-amino-5,6-dihydro-4H-1,3-thiazin-3-ium-3-yl)-2,4-disulfonylpentanedioic acid IUPAC Name: 3,3-bis(2-amino-5,6-dihydro-4H-1,3-thiazin-3-ium-3-yl)-2,4-disulfonylpentanedioic acid Traditional Name: 3,3-bis(2-amino-5,6-dihydro-4H-1,3-thiazin-3-ium-3-yl)-2,4-disulfonyl-glutaric acid Formula: C13H18N4O8S4+2 MolecularWeight: 486.56402

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(SC1)N)C(C(=S(=O)=O)C(=O)O)(C(=S(=O)=O)C(=O)O)[N+]2=C(SCCC2)N

Isomeric SMILES

C1C[N+](=C(SC1)N)C(C(=S(=O)=O)C(=O)O)(C(=S(=O)=O)C(=O)O)[N+]2=C(SCCC2)N

InChI

InChI=1S/C13H16N4O8S4/c14-11-16(3-1-5-26-11)13(7(9(18)19)28(22)23,8(10(20)21)29(24)25)17-4-2-6-27-12(17)15/h14-15H,1-6H2,(H2,18,19,20,21)/p+2