methyl 2-(2-methoxycarbonyl-4-nitro-phenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: methyl 2-(2-methoxycarbonyl-4-nitro-phenyl)sulfanyl-5-nitro-benzoate Openeye Name: methyl 2-(2-methoxycarbonyl-4-nitro-phenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(2-methoxycarbonyl-4-nitrophenyl)thio]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(2-methoxycarbonyl-4-nitrophenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(2-carbomethoxy-4-nitro-phenyl)thio]-5-nitro-benzoic acid methyl ester Formula: C16H12N2O8S MolecularWeight: 392.34008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O8S/c1-25-15(19)11-7-9(17(21)22)3-5-13(11)27-14-6-4-10(18(23)24)8-12(14)16(20)26-2/h3-8H,1-2H3