2-nitro-6-(2-oxidanyl-3-phenylsulfanyl-propyl)phenol

Systemtic Name: 2-nitro-6-(2-oxidanyl-3-phenylsulfanyl-propyl)phenol Openeye Name: 2-(2-hydroxy-3-phenylsulfanyl-propyl)-6-nitro-phenol CAS Name: 2-[2-hydroxy-3-(phenylthio)propyl]-6-nitrophenol IUPAC Name: 2-(2-hydroxy-3-phenylsulfanylpropyl)-6-nitrophenol Traditional Name: 2-[2-hydroxy-3-(phenylthio)propyl]-6-nitro-phenol Formula: C15H15NO4S MolecularWeight: 305.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(CC2=C(C(=CC=C2)[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(CC2=C(C(=CC=C2)[N+](=O)[O-])O)O

InChI

InChI=1S/C15H15NO4S/c17-12(10-21-13-6-2-1-3-7-13)9-11-5-4-8-14(15(11)18)16(19)20/h1-8,12,17-18H,9-10H2