methyl 4-(4-methoxycarbonyl-2-nitro-6-propylsulfanyl-phenyl)-3-nitro-5-propylsulfanyl-benzoate

Systemtic Name: methyl 4-(4-methoxycarbonyl-2-nitro-6-propylsulfanyl-phenyl)-3-nitro-5-propylsulfanyl-benzoate Openeye Name: methyl 4-(4-methoxycarbonyl-2-nitro-6-propylsulfanyl-phenyl)-3-nitro-5-propylsulfanyl-benzoate CAS Name: 4-[4-methoxycarbonyl-2-nitro-6-(propylthio)phenyl]-3-nitro-5-(propylthio)benzoic acid methyl ester IUPAC Name: methyl 4-(4-methoxycarbonyl-2-nitro-6-propylsulfanylphenyl)-3-nitro-5-propylsulfanylbenzoate Traditional Name: 4-[4-carbomethoxy-2-nitro-6-(propylthio)phenyl]-3-nitro-5-(propylthio)benzoic acid methyl ester Formula: C22H24N2O8S2 MolecularWeight: 508.56456

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=CC(=C1C2=C(C=C(C=C2SCCC)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCSC1=CC(=CC(=C1C2=C(C=C(C=C2SCCC)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H24N2O8S2/c1-5-7-33-17-11-13(21(25)31-3)9-15(23(27)28)19(17)20-16(24(29)30)10-14(22(26)32-4)12-18(20)34-8-6-2/h9-12H,5-8H2,1-4H3