5-(2-nitro-4-sulfo-phenyl)sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-(2-nitro-4-sulfo-phenyl)sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-(2-nitro-4-sulfo-phenyl)sulfonyl-benzoic acid CAS Name: 2-hydroxy-5-(2-nitro-4-sulfophenyl)sulfonylbenzoic acid IUPAC Name: 2-hydroxy-5-(2-nitro-4-sulfophenyl)sulfonylbenzoic acid Traditional Name: 2-hydroxy-5-(2-nitro-4-sulfo-phenyl)sulfonyl-benzoic acid Formula: C13H9NO10S2 MolecularWeight: 403.34126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9NO10S2/c15-11-3-1-7(5-9(11)13(16)17)25(20,21)12-4-2-8(26(22,23)24)6-10(12)14(18)19/h1-6,15H,(H,16,17)(H,22,23,24)