5-(3-carboxy-4-nitro-phenyl)sulfanyl-2-nitro-benzoic acid

Systemtic Name: 5-(3-carboxy-4-nitro-phenyl)sulfanyl-2-nitro-benzoic acid Openeye Name: 5-(3-carboxy-4-nitro-phenyl)sulfanyl-2-nitro-benzoic acid CAS Name: 5-[(3-carboxy-4-nitrophenyl)thio]-2-nitrobenzoic acid IUPAC Name: 5-(3-carboxy-4-nitrophenyl)sulfanyl-2-nitrobenzoic acid Traditional Name: 5-[(3-carboxy-4-nitro-phenyl)thio]-2-nitro-benzoic acid Formula: C14H8N2O8S MolecularWeight: 364.28692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1SC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H8N2O8S/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)