diazanium 3-ethyl-2H-1,3-benzothiazole-6-sulfonate

Systemtic Name: diazanium 3-ethyl-2H-1,3-benzothiazole-6-sulfonate Openeye Name: diammonium 3-ethyl-2H-1,3-benzothiazole-6-sulfonate CAS Name: diammonium 3-ethyl-2H-1,3-benzothiazole-6-sulfonate IUPAC Name: diazanium 3-ethyl-2H-1,3-benzothiazole-6-sulfonate Traditional Name: diammonium 3-ethyl-2H-1,3-benzothiazole-6-sulfonate Formula: C18H28N4O6S4 MolecularWeight: 524.69812

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CSC2=C1C=CC(=C2)S(=O)(=O)[O-].CCN1CSC2=C1C=CC(=C2)S(=O)(=O)[O-].[NH4+].[NH4+]

Isomeric SMILES

CCN1CSC2=C1C=CC(=C2)S(=O)(=O)[O-].CCN1CSC2=C1C=CC(=C2)S(=O)(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/2C9H11NO3S2.2H3N/c2*1-2-10-6-14-9-5-7(15(11,12)13)3-4-8(9)10;;/h2*3-5H,2,6H2,1H3,(H,11,12,13);2*1H3