2-[carboxymethyl-[4-(dimethylaminoperoxysulfanyl)phenyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[4-(dimethylaminoperoxysulfanyl)phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-4-(dimethylaminoperoxysulfanyl)anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-4-(dimethylaminodioxythio)anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-4-(dimethylaminoperoxysulfanyl)anilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-4-(dimethylaminoperoxythio)anilino]acetic acid Formula: C12H16N2O6S MolecularWeight: 316.33024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)OOSC1=CC=C(C=C1)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CN(C)OOSC1=CC=C(C=C1)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C12H16N2O6S/c1-13(2)19-20-21-10-5-3-9(4-6-10)14(7-11(15)16)8-12(17)18/h3-6H,7-8H2,1-2H3,(H,15,16)(H,17,18)