4-[(4-chloranyl-3-nitro-phenyl)carbonylamino]benzenesulfonic acid

Systemtic Name: 4-[(4-chloranyl-3-nitro-phenyl)carbonylamino]benzenesulfonic acid Openeye Name: 4-[(4-chloro-3-nitro-benzoyl)amino]benzenesulfonic acid CAS Name: 4-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-[(4-chloro-3-nitrobenzoyl)amino]benzenesulfonic acid Traditional Name: 4-[(4-chloro-3-nitro-benzoyl)amino]besylic acid Formula: C13H9ClN2O6S MolecularWeight: 356.73836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)O

InChI

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