2-[3-(1,2-diazet-3-yl)-2-sulfo-1,3-benzothiazol-2-yl]-3-ethyl-1,3-benzothiazole-2-sulfonic acid

Systemtic Name: 2-[3-(1,2-diazet-3-yl)-2-sulfo-1,3-benzothiazol-2-yl]-3-ethyl-1,3-benzothiazole-2-sulfonic acid Openeye Name: 2-[3-(diazet-3-yl)-2-sulfo-1,3-benzothiazol-2-yl]-3-ethyl-1,3-benzothiazole-2-sulfonic acid CAS Name: 2-[3-(3-diazetyl)-2-sulfo-1,3-benzothiazol-2-yl]-3-ethyl-1,3-benzothiazole-2-sulfonic acid IUPAC Name: 2-[3-(diazet-3-yl)-2-sulfo-1,3-benzothiazol-2-yl]-3-ethyl-1,3-benzothiazole-2-sulfonic acid Traditional Name: 2-[3-(diazet-3-yl)-2-sulfo-1,3-benzothiazol-2-yl]-3-ethyl-1,3-benzothiazole-2-sulfonic acid Formula: C18H16N4O6S4 MolecularWeight: 512.60284

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1(C3(N(C4=CC=CC=C4S3)C5=CN=N5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCN1C2=CC=CC=C2SC1(C3(N(C4=CC=CC=C4S3)C5=CN=N5)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H16N4O6S4/c1-2-21-12-7-3-5-9-14(12)29-17(21,31(23,24)25)18(32(26,27)28)22(16-11-19-20-16)13-8-4-6-10-15(13)30-18/h3-11H,2H2,1H3,(H,23,24,25)(H,26,27,28)