(3-nitro-4-oxidanyl-phenyl)sulfonyl 6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoate

Systemtic Name: (3-nitro-4-oxidanyl-phenyl)sulfonyl 6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoate Openeye Name: (4-hydroxy-3-nitro-phenyl)sulfonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate CAS Name: 6-(2,5-dioxo-1-pyrrolyl)hexanoic acid (4-hydroxy-3-nitrophenyl)sulfonyl ester IUPAC Name: (4-hydroxy-3-nitrophenyl)sulfonyl 6-(2,5-dioxopyrrol-1-yl)hexanoate Traditional Name: 6-maleimidohexanoic acid (4-hydroxy-3-nitro-phenyl)sulfonyl ester Formula: C16H16N2O9S MolecularWeight: 412.37124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)OC(=O)CCCCCN2C(=O)C=CC2=O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)OC(=O)CCCCCN2C(=O)C=CC2=O)[N+](=O)[O-])O

InChI

InChI=1S/C16H16N2O9S/c19-13-6-5-11(10-12(13)18(23)24)28(25,26)27-16(22)4-2-1-3-9-17-14(20)7-8-15(17)21/h5-8,10,19H,1-4,9H2