3-[12-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)dodecyl]-1,3-benzothiazol-3-ium-2-amine; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-[12-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)dodecyl]-1,3-benzothiazol-3-ium-2-amine; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-[12-(2-amino-1,3-benzothiazol-3-ium-3-yl)dodecyl]-1,3-benzothiazol-3-ium-2-amine; 2-hydroxy-2-oxo-acetate CAS Name: 3-[12-(2-amino-1,3-benzothiazol-3-ium-3-yl)dodecyl]-1,3-benzothiazol-3-ium-2-amine; 2-hydroxy-2-oxoacetate IUPAC Name: 3-[12-(2-amino-1,3-benzothiazol-3-ium-3-yl)dodecyl]-1,3-benzothiazol-3-ium-2-amine; 2-hydroxy-2-oxoacetate Traditional Name: [3-[12-(2-amino-1,3-benzothiazol-3-ium-3-yl)dodecyl]-1,3-benzothiazol-3-ium-2-yl]amine dibinoxalate Formula: C30H38N4O8S2 MolecularWeight: 646.77472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=C(S2)N)CCCCCCCCCCCC[N+]3=C(SC4=CC=CC=C43)N.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=C(S2)N)CCCCCCCCCCCC[N+]3=C(SC4=CC=CC=C43)N.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C26H34N4S2.2C2H2O4/c27-25-29(21-15-9-11-17-23(21)31-25)19-13-7-5-3-1-2-4-6-8-14-20-30-22-16-10-12-18-24(22)32-26(30)28;2*3-1(4)2(5)6/h9-12,15-18,27-28H,1-8,13-14,19-20H2;2*(H,3,4)(H,5,6)