4-(4-carboxy-3-nitro-phenyl)sulfonyl-2-nitro-benzoic acid

Systemtic Name: 4-(4-carboxy-3-nitro-phenyl)sulfonyl-2-nitro-benzoic acid Openeye Name: 4-(4-carboxy-3-nitro-phenyl)sulfonyl-2-nitro-benzoic acid CAS Name: 4-(4-carboxy-3-nitrophenyl)sulfonyl-2-nitrobenzoic acid IUPAC Name: 4-(4-carboxy-3-nitrophenyl)sulfonyl-2-nitrobenzoic acid Traditional Name: 4-(4-carboxy-3-nitro-phenyl)sulfonyl-2-nitro-benzoic acid Formula: C14H8N2O10S MolecularWeight: 396.28572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8N2O10S/c17-13(18)9-3-1-7(5-11(9)15(21)22)27(25,26)8-2-4-10(14(19)20)12(6-8)16(23)24/h1-6H,(H,17,18)(H,19,20)