4-chloranyl-7a-sulfo-benzotriazole-5-carboxylic acid

Systemtic Name: 4-chloranyl-7a-sulfo-benzotriazole-5-carboxylic acid Openeye Name: 4-chloro-7a-sulfo-benzotriazole-5-carboxylic acid CAS Name: 4-chloro-7a-sulfo-5-benzotriazolecarboxylic acid IUPAC Name: 4-chloro-7a-sulfobenzotriazole-5-carboxylic acid Traditional Name: 4-chloro-7a-sulfo-benzotriazole-5-carboxylic acid Formula: C7H4ClN3O5S MolecularWeight: 277.64176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2(C(=NN=N2)C(=C1C(=O)O)Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC2(C(=NN=N2)C(=C1C(=O)O)Cl)S(=O)(=O)O

InChI

InChI=1S/C7H4ClN3O5S/c8-4-3(6(12)13)1-2-7(17(14,15)16)5(4)9-11-10-7/h1-2H,(H,12,13)(H,14,15,16)