disodium (2S)-3-(4-hydroxyphenyl)-2-[3-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate

Systemtic Name: disodium (2S)-3-(4-hydroxyphenyl)-2-[3-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate Openeye Name: disodium (2S)-2-(3-hydroxy-2,5-dioxo-pyrrolidin-1-yl)-3-(4-hydroxyphenyl)propanoate CAS Name: disodium (2S)-2-(3-hydroxy-2,5-dioxo-1-pyrrolidinyl)-3-(4-hydroxyphenyl)propanoate IUPAC Name: disodium (2S)-2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)-3-(4-hydroxyphenyl)propanoate Traditional Name: disodium (2S)-2-(3-hydroxy-2,5-diketo-pyrrolidino)-3-(4-hydroxyphenyl)propionate Formula: C26H24N2Na2O12 MolecularWeight: 602.4545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C(CC2=CC=C(C=C2)O)C(=O)[O-])O.C1C(C(=O)N(C1=O)C(CC2=CC=C(C=C2)O)C(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

C1C(C(=O)N(C1=O)[C@@H](CC2=CC=C(C=C2)O)C(=O)[O-])O.C1C(C(=O)N(C1=O)[C@@H](CC2=CC=C(C=C2)O)C(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/2C13H13NO6.2Na/c2*15-8-3-1-7(2-4-8)5-9(13(19)20)14-11(17)6-10(16)12(14)18;;/h2*1-4,9-10,15-16H,5-6H2,(H,19,20);;/q;;2*+1/p-2/t2*9-,10?;;/m00../s1