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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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