2-[2-[2-[4-(dioxidanyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]oxyethyl-methyl-amino]ethoxy]butanedioic acid

Systemtic Name: 2-[2-[2-[4-(dioxidanyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]oxyethyl-methyl-amino]ethoxy]butanedioic acid Openeye Name: 2-[2-[2-(1-carboxy-3-hydroperoxy-propoxy)ethyl-methyl-amino]ethoxy]butanedioic acid CAS Name: 2-[2-[2-(4-hydroperoxy-1-hydroxy-1-oxobutan-2-yl)oxyethyl-methylamino]ethoxy]butanedioic acid IUPAC Name: 2-[2-[2-(4-hydroperoxy-1-hydroxy-1-oxobutan-2-yl)oxyethyl-methylamino]ethoxy]butanedioic acid Traditional Name: 2-[2-[2-(1-carboxy-3-hydroperoxy-propoxy)ethyl-methyl-amino]ethoxy]succinic acid Formula: C13H23NO10 MolecularWeight: 353.32242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC(CCOO)C(=O)O)CCOC(CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCOC(CCOO)C(=O)O)CCOC(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H23NO10/c1-14(3-6-22-9(12(17)18)2-5-24-21)4-7-23-10(13(19)20)8-11(15)16/h9-10,21H,2-8H2,1H3,(H,15,16)(H,17,18)(H,19,20)