3-oxidanylidenebutyl 2-nitro-5-[[4-nitro-3-(3-oxidanylidenepentoxycarbonyl)phenyl]disulfanyl]benzoate

Systemtic Name: 3-oxidanylidenebutyl 2-nitro-5-[[4-nitro-3-(3-oxidanylidenepentoxycarbonyl)phenyl]disulfanyl]benzoate Openeye Name: 3-oxobutyl 2-nitro-5-[[4-nitro-3-(3-oxopentoxycarbonyl)phenyl]disulfanyl]benzoate CAS Name: 2-nitro-5-[[4-nitro-3-[oxo(3-oxopentoxy)methyl]phenyl]disulfanyl]benzoic acid 3-oxobutyl ester IUPAC Name: 3-oxobutyl 2-nitro-5-[[4-nitro-3-(3-oxopentoxycarbonyl)phenyl]disulfanyl]benzoate Traditional Name: 5-[[3-(3-ketopentoxycarbonyl)-4-nitro-phenyl]disulfanyl]-2-nitro-benzoic acid 3-ketobutyl ester Formula: C23H22N2O10S2 MolecularWeight: 550.55818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCOC(=O)C1=C(C=CC(=C1)SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)CCOC(=O)C1=C(C=CC(=C1)SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H22N2O10S2/c1-3-15(27)9-11-35-23(29)19-13-17(5-7-21(19)25(32)33)37-36-16-4-6-20(24(30)31)18(12-16)22(28)34-10-8-14(2)26/h4-7,12-13H,3,8-11H2,1-2H3