sodium 14-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]oxy-14-oxidanylidene-tetradecanoic acid

Systemtic Name: sodium 14-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]oxy-14-oxidanylidene-tetradecanoic acid Openeye Name: sodium 14-(2,5-dioxo-3-sulfo-pyrrolidin-1-yl)oxy-14-oxo-tetradecanoic acid CAS Name: sodium 14-[(2,5-dioxo-3-sulfo-1-pyrrolidinyl)oxy]-14-oxotetradecanoic acid IUPAC Name: sodium 14-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-14-oxotetradecanoic acid Traditional Name: sodium 14-(2,5-diketo-3-sulfo-pyrrolidino)oxy-14-keto-myristic acid Formula: C18H29NNaO9S+ MolecularWeight: 458.47893

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OC(=O)CCCCCCCCCCCCC(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1C(C(=O)N(C1=O)OC(=O)CCCCCCCCCCCCC(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C18H29NO9S.Na/c20-15-13-14(29(25,26)27)18(24)19(15)28-17(23)12-10-8-6-4-2-1-3-5-7-9-11-16(21)22;/h14H,1-13H2,(H,21,22)(H,25,26,27);/q;+1