2-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-(2,5-dioxo-3-sulfo-pyrrolidin-1-yl)-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-(2,5-dioxo-3-sulfo-1-pyrrolidinyl)-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-(2,5-dioxo-3-sulfopyrrolidin-1-yl)-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-(2,5-diketo-3-sulfo-pyrrolidino)-3-(4-hydroxyphenyl)propionic acid Formula: C13H13NO8S MolecularWeight: 343.30922

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C(CC2=CC=C(C=C2)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C(CC2=CC=C(C=C2)O)C(=O)O)S(=O)(=O)O

InChI

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