(1-nitro-2-phenylsulfanyl-cyclohexyl)methanol

Systemtic Name: (1-nitro-2-phenylsulfanyl-cyclohexyl)methanol Openeye Name: (1-nitro-2-phenylsulfanyl-cyclohexyl)methanol CAS Name: [1-nitro-2-(phenylthio)cyclohexyl]methanol IUPAC Name: (1-nitro-2-phenylsulfanylcyclohexyl)methanol Traditional Name: [1-nitro-2-(phenylthio)cyclohexyl]methanol Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)SC2=CC=CC=C2)(CO)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C(C1)SC2=CC=CC=C2)(CO)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO3S/c15-10-13(14(16)17)9-5-4-8-12(13)18-11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2