sodium 1-[3-(4-hydroxyphenyl)propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate

Systemtic Name: sodium 1-[3-(4-hydroxyphenyl)propanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonate Openeye Name: sodium 1-[3-(4-hydroxyphenyl)propanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonate CAS Name: sodium 1-[3-(4-hydroxyphenyl)-1-oxopropoxy]-2,5-dioxo-3-pyrrolidinesulfonate IUPAC Name: sodium 1-[3-(4-hydroxyphenyl)propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate Traditional Name: sodium 1-[3-(4-hydroxyphenyl)propanoyloxy]-2,5-diketo-pyrrolidine-3-sulfonate Formula: C13H12NNaO8S MolecularWeight: 365.29105

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OC(=O)CCC2=CC=C(C=C2)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1C(C(=O)N(C1=O)OC(=O)CCC2=CC=C(C=C2)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H13NO8S.Na/c15-9-4-1-8(2-5-9)3-6-12(17)22-14-11(16)7-10(13(14)18)23(19,20)21;/h1-2,4-5,10,15H,3,6-7H2,(H,19,20,21);/q;+1/p-1