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

Systemtic Name: sodium 4-[6-[2,5-bis(oxidanylidene)pyrrol-1-yl]hexanoyloxy]-3-nitro-benzenesulfonate Openeye Name: sodium 4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-3-nitro-benzenesulfonate CAS Name: sodium 4-[6-(2,5-dioxo-1-pyrrolyl)-1-oxohexoxy]-3-nitrobenzenesulfonate IUPAC Name: sodium 4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]-3-nitrobenzenesulfonate Traditional Name: sodium 4-(6-maleimidohexanoyloxy)-3-nitro-besylate Formula: C16H15N2NaO9S MolecularWeight: 434.35307

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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.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O9S.Na/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);/q;+1/p-1