2-nitro-3-phenylsulfanyl-cyclohexan-1-ol

Systemtic Name: 2-nitro-3-phenylsulfanyl-cyclohexan-1-ol Openeye Name: 2-nitro-3-phenylsulfanyl-cyclohexanol CAS Name: 2-nitro-3-(phenylthio)-1-cyclohexanol IUPAC Name: 2-nitro-3-phenylsulfanylcyclohexan-1-ol Traditional Name: 2-nitro-3-(phenylthio)cyclohexanol Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1)SC2=CC=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CC(C(C(C1)SC2=CC=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H15NO3S/c14-10-7-4-8-11(12(10)13(15)16)17-9-5-2-1-3-6-9/h1-3,5-6,10-12,14H,4,7-8H2