4-[6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoyloxy]-3-nitro-benzenesulfonic acid

Systemtic Name: 4-[6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoyloxy]-3-nitro-benzenesulfonic acid Openeye Name: 4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-3-nitro-benzenesulfonic acid CAS Name: 4-[6-(2,5-dioxo-1-pyrrolyl)-1-oxohexoxy]-3-nitrobenzenesulfonic acid IUPAC Name: 4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-3-nitrobenzenesulfonic acid Traditional Name: 4-(6-maleimidohexanoyloxy)-3-nitro-besylic acid Formula: C16H16N2O9S MolecularWeight: 412.37124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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