2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-5-sulfo-benzoic acid

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)sulfonylamino]-5-sulfo-benzoic acid Openeye Name: 2-[(4-chloro-3-nitro-phenyl)sulfonylamino]-5-sulfo-benzoic acid CAS Name: 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-5-sulfobenzoic acid IUPAC Name: 2-[(4-chloro-3-nitrophenyl)sulfonylamino]-5-sulfobenzoic acid Traditional Name: 2-[(4-chloro-3-nitro-phenyl)sulfonylamino]-5-sulfo-benzoic acid Formula: C13H9ClN2O9S2 MolecularWeight: 436.80156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H9ClN2O9S2/c14-10-3-1-7(6-12(10)16(19)20)26(21,22)15-11-4-2-8(27(23,24)25)5-9(11)13(17)18/h1-6,15H,(H,17,18)(H,23,24,25)