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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

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