(1S,2S)-1,2-bis(3-nitrophenyl)-2-phenylsulfanyl-ethanol

Systemtic Name: (1S,2S)-1,2-bis(3-nitrophenyl)-2-phenylsulfanyl-ethanol Openeye Name: (1S,2S)-1,2-bis(3-nitrophenyl)-2-phenylsulfanyl-ethanol CAS Name: (1S,2S)-1,2-bis(3-nitrophenyl)-2-(phenylthio)ethanol IUPAC Name: (1S,2S)-1,2-bis(3-nitrophenyl)-2-phenylsulfanylethanol Traditional Name: (1S,2S)-1,2-bis(3-nitrophenyl)-2-(phenylthio)ethanol Formula: C20H16N2O5S MolecularWeight: 396.41644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(C2=CC(=CC=C2)[N+](=O)[O-])C(C3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)S[C@@H](C2=CC(=CC=C2)[N+](=O)[O-])[C@H](C3=CC(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H16N2O5S/c23-19(14-6-4-8-16(12-14)21(24)25)20(28-18-10-2-1-3-11-18)15-7-5-9-17(13-15)22(26)27/h1-13,19-20,23H/t19-,20-/m0/s1