2-(6-chloranyl-4-nitro-benzotriazol-1-yl)carbonylbenzenesulfonic acid

Systemtic Name: 2-(6-chloranyl-4-nitro-benzotriazol-1-yl)carbonylbenzenesulfonic acid Openeye Name: 2-(6-chloro-4-nitro-benzotriazole-1-carbonyl)benzenesulfonic acid CAS Name: 2-[(6-chloro-4-nitro-1-benzotriazolyl)-oxomethyl]benzenesulfonic acid IUPAC Name: 2-(6-chloro-4-nitrobenzotriazole-1-carbonyl)benzenesulfonic acid Traditional Name: 2-(6-chloro-4-nitro-benzotriazole-1-carbonyl)besylic acid Formula: C13H7ClN4O6S MolecularWeight: 382.73588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N2C3=CC(=CC(=C3N=N2)[N+](=O)[O-])Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N2C3=CC(=CC(=C3N=N2)[N+](=O)[O-])Cl)S(=O)(=O)O

InChI

InChI=1S/C13H7ClN4O6S/c14-7-5-9-12(10(6-7)18(20)21)15-16-17(9)13(19)8-3-1-2-4-11(8)25(22,23)24/h1-6H,(H,22,23,24)