4-(4-carboxy-2-nitro-6-propylsulfanyl-phenyl)-3-nitro-5-propylsulfanyl-benzoic acid

Systemtic Name: 4-(4-carboxy-2-nitro-6-propylsulfanyl-phenyl)-3-nitro-5-propylsulfanyl-benzoic acid Openeye Name: 4-(4-carboxy-2-nitro-6-propylsulfanyl-phenyl)-3-nitro-5-propylsulfanyl-benzoic acid CAS Name: 4-[4-carboxy-2-nitro-6-(propylthio)phenyl]-3-nitro-5-(propylthio)benzoic acid IUPAC Name: 4-(4-carboxy-2-nitro-6-propylsulfanylphenyl)-3-nitro-5-propylsulfanylbenzoic acid Traditional Name: 4-[4-carboxy-2-nitro-6-(propylthio)phenyl]-3-nitro-5-(propylthio)benzoic acid Formula: C20H20N2O8S2 MolecularWeight: 480.5114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O8S2/c1-3-5-31-15-9-11(19(23)24)7-13(21(27)28)17(15)18-14(22(29)30)8-12(20(25)26)10-16(18)32-6-4-2/h7-10H,3-6H2,1-2H3,(H,23,24)(H,25,26)