2-[1-(carboxymethylsulfanyl)-1-(3-nitrophenyl)ethyl]sulfanylethanoic acid

Systemtic Name: 2-[1-(carboxymethylsulfanyl)-1-(3-nitrophenyl)ethyl]sulfanylethanoic acid Openeye Name: 2-[1-(carboxymethylsulfanyl)-1-(3-nitrophenyl)ethyl]sulfanylacetic acid CAS Name: 2-[[1-(carboxymethylthio)-1-(3-nitrophenyl)ethyl]thio]acetic acid IUPAC Name: 2-[1-(carboxymethylsulfanyl)-1-(3-nitrophenyl)ethyl]sulfanylacetic acid Traditional Name: 2-[[1-(carboxymethylthio)-1-(3-nitrophenyl)ethyl]thio]acetic acid Formula: C12H13NO6S2 MolecularWeight: 331.36472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])(SCC(=O)O)SCC(=O)O

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])(SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C12H13NO6S2/c1-12(20-6-10(14)15,21-7-11(16)17)8-3-2-4-9(5-8)13(18)19/h2-5H,6-7H2,1H3,(H,14,15)(H,16,17)