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

Systemtic Name: 3-oxidanylidenebutyl 2-nitro-5-[[4-nitro-3-(3-oxidanylidenebutoxycarbonyl)phenyl]disulfanyl]benzoate Openeye Name: 3-oxobutyl 2-nitro-5-[[4-nitro-3-(3-oxobutoxycarbonyl)phenyl]disulfanyl]benzoate CAS Name: 2-nitro-5-[[4-nitro-3-[oxo(3-oxobutoxy)methyl]phenyl]disulfanyl]benzoic acid 3-oxobutyl ester IUPAC Name: 3-oxobutyl 2-nitro-5-[[4-nitro-3-(3-oxobutoxycarbonyl)phenyl]disulfanyl]benzoate Traditional Name: 5-[[3-(3-ketobutoxycarbonyl)-4-nitro-phenyl]disulfanyl]-2-nitro-benzoic acid 3-ketobutyl ester Formula: C22H20N2O10S2 MolecularWeight: 536.5316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=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

CC(=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/C22H20N2O10S2/c1-13(25)7-9-33-21(27)17-11-15(3-5-19(17)23(29)30)35-36-16-4-6-20(24(31)32)18(12-16)22(28)34-10-8-14(2)26/h3-6,11-12H,7-10H2,1-2H3