methyl 4-[(4-methoxycarbonyl-2-nitro-phenyl)disulfanyl]-3-nitro-benzoate

Systemtic Name: methyl 4-[(4-methoxycarbonyl-2-nitro-phenyl)disulfanyl]-3-nitro-benzoate Openeye Name: methyl 4-[(4-methoxycarbonyl-2-nitro-phenyl)disulfanyl]-3-nitro-benzoate CAS Name: 4-[(4-methoxycarbonyl-2-nitrophenyl)disulfanyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(4-methoxycarbonyl-2-nitrophenyl)disulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-carbomethoxy-2-nitro-phenyl)disulfanyl]-3-nitro-benzoic acid methyl ester Formula: C16H12N2O8S2 MolecularWeight: 424.40508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SSC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SSC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O8S2/c1-25-15(19)9-3-5-13(11(7-9)17(21)22)27-28-14-6-4-10(16(20)26-2)8-12(14)18(23)24/h3-8H,1-2H3