(2S)-2-[(4-nitrophenyl)methylsulfanyl]butanedioate

Systemtic Name: (2S)-2-[(4-nitrophenyl)methylsulfanyl]butanedioate Openeye Name: (2S)-2-[(4-nitrophenyl)methylsulfanyl]butanedioate CAS Name: (2S)-2-[(4-nitrophenyl)methylthio]butanedioate IUPAC Name: (2S)-2-[(4-nitrophenyl)methylsulfanyl]butanedioate Traditional Name: (2S)-2-[(4-nitrobenzyl)thio]succinate Formula: C11H9NO6S-2 MolecularWeight: 283.25726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(CC(=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CS[C@@H](CC(=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11NO6S/c13-10(14)5-9(11(15)16)19-6-7-1-3-8(4-2-7)12(17)18/h1-4,9H,5-6H2,(H,13,14)(H,15,16)/p-2/t9-/m0/s1