diazanium 3-ethyl-2-[(E)-(3-ethyl-2-sulfonato-1,3-benzothiazol-2-yl)diazenyl]-1,3-benzothiazole-2-sulfonate

Systemtic Name: diazanium 3-ethyl-2-[(E)-(3-ethyl-2-sulfonato-1,3-benzothiazol-2-yl)diazenyl]-1,3-benzothiazole-2-sulfonate Openeye Name: diammonium 3-ethyl-2-[(E)-(3-ethyl-2-sulfonato-1,3-benzothiazol-2-yl)azo]-1,3-benzothiazole-2-sulfonate CAS Name: diammonium 3-ethyl-2-[(E)-(3-ethyl-2-sulfonato-1,3-benzothiazol-2-yl)azo]-1,3-benzothiazole-2-sulfonate IUPAC Name: diazanium 3-ethyl-2-[(E)-(3-ethyl-2-sulfonato-1,3-benzothiazol-2-yl)diazenyl]-1,3-benzothiazole-2-sulfonate Traditional Name: diammonium 3-ethyl-2-[(E)-(3-ethyl-2-sulfonato-1,3-benzothiazol-2-yl)azo]-1,3-benzothiazole-2-sulfonate Formula: C18H26N6O6S4 MolecularWeight: 550.69564

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1(N=NC3(N(C4=CC=CC=C4S3)CC)S(=O)(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+]

Isomeric SMILES

CCN1C2=CC=CC=C2SC1(/N=N/C3(N(C4=CC=CC=C4S3)CC)S(=O)(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/C18H20N4O6S4.2H3N/c1-3-21-13-9-5-7-11-15(13)29-17(21,31(23,24)25)19-20-18(32(26,27)28)22(4-2)14-10-6-8-12-16(14)30-18;;/h5-12H,3-4H2,1-2H3,(H,23,24,25)(H,26,27,28);2*1H3/b20-19+;;