sodium 2,5-bis(oxidanylidene)-1-(14-oxidanylidene-14-phenylmethoxy-tetradecanoyl)oxy-pyrrolidine-3-sulfonic acid

Systemtic Name: sodium 2,5-bis(oxidanylidene)-1-(14-oxidanylidene-14-phenylmethoxy-tetradecanoyl)oxy-pyrrolidine-3-sulfonic acid Openeye Name: sodium 1-(14-benzyloxy-14-oxo-tetradecanoyl)oxy-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: sodium 1-(1,14-dioxo-14-phenylmethoxytetradecoxy)-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: sodium 2,5-dioxo-1-(14-oxo-14-phenylmethoxytetradecanoyl)oxypyrrolidine-3-sulfonic acid Traditional Name: sodium 1-(14-benzoxy-14-keto-tetradecanoyl)oxy-2,5-diketo-pyrrolidine-3-sulfonic acid Formula: C25H35NNaO9S+ MolecularWeight: 548.60147

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OC(=O)CCCCCCCCCCCCC(=O)OCC2=CC=CC=C2)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1C(C(=O)N(C1=O)OC(=O)CCCCCCCCCCCCC(=O)OCC2=CC=CC=C2)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C25H35NO9S.Na/c27-22-18-21(36(31,32)33)25(30)26(22)35-24(29)17-13-8-6-4-2-1-3-5-7-12-16-23(28)34-19-20-14-10-9-11-15-20;/h9-11,14-15,21H,1-8,12-13,16-19H2,(H,31,32,33);/q;+1