4-(2-nitro-1-phenylsulfanyl-ethyl)phenol

Systemtic Name: 4-(2-nitro-1-phenylsulfanyl-ethyl)phenol Openeye Name: 4-(2-nitro-1-phenylsulfanyl-ethyl)phenol CAS Name: 4-[2-nitro-1-(phenylthio)ethyl]phenol IUPAC Name: 4-(2-nitro-1-phenylsulfanylethyl)phenol Traditional Name: 4-[2-nitro-1-(phenylthio)ethyl]phenol Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO3S/c16-12-8-6-11(7-9-12)14(10-15(17)18)19-13-4-2-1-3-5-13/h1-9,14,16H,10H2