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

Systemtic Name: 3-oxidanylidenepentyl 2-methyl-5-[[4-nitro-3-(3-oxidanylidenebutoxycarbonyl)phenyl]disulfanyl]benzoate Openeye Name: 3-oxopentyl 2-methyl-5-[[4-nitro-3-(3-oxobutoxycarbonyl)phenyl]disulfanyl]benzoate CAS Name: 2-methyl-5-[[4-nitro-3-[oxo(3-oxobutoxy)methyl]phenyl]disulfanyl]benzoic acid 3-oxopentyl ester IUPAC Name: 3-oxopentyl 2-methyl-5-[[4-nitro-3-(3-oxobutoxycarbonyl)phenyl]disulfanyl]benzoate Traditional Name: 5-[[3-(3-ketobutoxycarbonyl)-4-nitro-phenyl]disulfanyl]-2-methyl-benzoic acid 3-ketopentyl ester Formula: C24H25NO8S2 MolecularWeight: 519.5872

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO8S2/c1-4-17(27)10-12-33-23(28)20-13-18(6-5-15(20)2)34-35-19-7-8-22(25(30)31)21(14-19)24(29)32-11-9-16(3)26/h5-8,13-14H,4,9-12H2,1-3H3