hydrogen sulfate; 4-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-2-sulfo-benzenediazonium

Systemtic Name: hydrogen sulfate; 4-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-2-sulfo-benzenediazonium Openeye Name: hydrogen sulfate; 4-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-2-sulfo-benzenediazonium CAS Name: hydrogen sulfate; 4-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-2-sulfobenzenediazonium IUPAC Name: hydrogen sulfate; 4-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-2-sulfobenzenediazonium Traditional Name: 4-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)-2-sulfo-benzenediazonium bisulfate Formula: C14H11N3O10S4 MolecularWeight: 509.51124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)[N+]#N)S(=O)(=O)O)S(=O)(=O)O.OS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)[N+]#N)S(=O)(=O)O)S(=O)(=O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C14H9N3O6S3.H2O4S/c1-7-2-4-10-12(13(7)26(21,22)23)24-14(16-10)8-3-5-9(17-15)11(6-8)25(18,19)20;1-5(2,3)4/h2-6H,1H3,(H-,18,19,20,21,22,23);(H2,1,2,3,4)