sodium 1-[8-[2,5-bis(oxidanylidene)pyrrol-1-yl]octoxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate

Systemtic Name: sodium 1-[8-[2,5-bis(oxidanylidene)pyrrol-1-yl]octoxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate Openeye Name: sodium 1-[8-(2,5-dioxopyrrol-1-yl)octoxy]-2,5-dioxo-pyrrolidine-3-sulfonate CAS Name: sodium 1-[8-(2,5-dioxo-1-pyrrolyl)octoxy]-2,5-dioxo-3-pyrrolidinesulfonate IUPAC Name: sodium 1-[8-(2,5-dioxopyrrol-1-yl)octoxy]-2,5-dioxopyrrolidine-3-sulfonate Traditional Name: sodium 2,5-diketo-1-(8-maleimidooctoxy)pyrrolidine-3-sulfonate Formula: C16H21N2NaO8S MolecularWeight: 424.40131

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OCCCCCCCCN2C(=O)C=CC2=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1C(C(=O)N(C1=O)OCCCCCCCCN2C(=O)C=CC2=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H22N2O8S.Na/c19-13-7-8-14(20)17(13)9-5-3-1-2-4-6-10-26-18-15(21)11-12(16(18)22)27(23,24)25;/h7-8,12H,1-6,9-11H2,(H,23,24,25);/q;+1/p-1