3-butyl-5-[(3-butyl-5-carboxylato-4-nitro-phenyl)disulfanyl]-2-nitro-benzoate

Systemtic Name: 3-butyl-5-[(3-butyl-5-carboxylato-4-nitro-phenyl)disulfanyl]-2-nitro-benzoate Openeye Name: 3-butyl-5-[(3-butyl-5-carboxylato-4-nitro-phenyl)disulfanyl]-2-nitro-benzoate CAS Name: 3-butyl-5-[(3-butyl-5-carboxylato-4-nitrophenyl)disulfanyl]-2-nitrobenzoate IUPAC Name: 3-butyl-5-[(3-butyl-5-carboxylato-4-nitrophenyl)disulfanyl]-2-nitrobenzoate Traditional Name: 3-butyl-5-[(3-butyl-5-carboxylato-4-nitro-phenyl)disulfanyl]-2-nitro-benzoate Formula: C22H22N2O8S2-2 MolecularWeight: 506.54868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=C1)SSC2=CC(=C(C(=C2)C(=O)[O-])[N+](=O)[O-])CCCC)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C(=CC(=C1)SSC2=CC(=C(C(=C2)C(=O)[O-])[N+](=O)[O-])CCCC)C(=O)[O-])[N+](=O)[O-]

InChI

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