2-(2-carboxylato-4-nitro-phenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: 2-(2-carboxylato-4-nitro-phenyl)sulfanyl-5-nitro-benzoate Openeye Name: 2-(2-carboxylato-4-nitro-phenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(2-carboxylato-4-nitrophenyl)thio]-5-nitrobenzoate IUPAC Name: 2-(2-carboxylato-4-nitrophenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(2-carboxylato-4-nitro-phenyl)thio]-5-nitro-benzoate Formula: C14H6N2O8S-2 MolecularWeight: 362.27104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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