ethyl 4-[(4-ethoxycarbonyl-2-nitro-phenyl)disulfanyl]-3-nitro-benzoate

Systemtic Name: ethyl 4-[(4-ethoxycarbonyl-2-nitro-phenyl)disulfanyl]-3-nitro-benzoate Openeye Name: ethyl 4-[(4-ethoxycarbonyl-2-nitro-phenyl)disulfanyl]-3-nitro-benzoate CAS Name: 4-[(4-ethoxycarbonyl-2-nitrophenyl)disulfanyl]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethoxycarbonyl-2-nitrophenyl)disulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-carbethoxy-2-nitro-phenyl)disulfanyl]-3-nitro-benzoic acid ethyl ester Formula: C18H16N2O8S2 MolecularWeight: 452.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)SSC2=C(C=C(C=C2)C(=O)OCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)SSC2=C(C=C(C=C2)C(=O)OCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O8S2/c1-3-27-17(21)11-5-7-15(13(9-11)19(23)24)29-30-16-8-6-12(18(22)28-4-2)10-14(16)20(25)26/h5-10H,3-4H2,1-2H3