3-(6-aminocarbonyl-3-chloranyl-2-nitro-phenyl)benzenesulfonic acid

Systemtic Name: 3-(6-aminocarbonyl-3-chloranyl-2-nitro-phenyl)benzenesulfonic acid Openeye Name: 3-(6-carbamoyl-3-chloro-2-nitro-phenyl)benzenesulfonic acid CAS Name: 3-(6-carbamoyl-3-chloro-2-nitrophenyl)benzenesulfonic acid IUPAC Name: 3-(6-carbamoyl-3-chloro-2-nitrophenyl)benzenesulfonic acid Traditional Name: 3-(6-carbamoyl-3-chloro-2-nitro-phenyl)besylic acid Formula: C13H9ClN2O6S MolecularWeight: 356.73836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)C2=C(C=CC(=C2[N+](=O)[O-])Cl)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)C2=C(C=CC(=C2[N+](=O)[O-])Cl)C(=O)N

InChI

InChI=1S/C13H9ClN2O6S/c14-10-5-4-9(13(15)17)11(12(10)16(18)19)7-2-1-3-8(6-7)23(20,21)22/h1-6H,(H2,15,17)(H,20,21,22)