[(1S,2S)-2-isothiocyanatocyclohexyl]oxymethylbenzene

Systemtic Name: [(1S,2S)-2-isothiocyanatocyclohexyl]oxymethylbenzene Openeye Name: [(1S,2S)-2-isothiocyanatocyclohexoxy]methylbenzene CAS Name: [(1S,2S)-2-isothiocyanatocyclohexyl]oxymethylbenzene IUPAC Name: [(1S,2S)-2-isothiocyanatocyclohexyl]oxymethylbenzene Traditional Name: [(1S,2S)-2-isothiocyanatocyclohexoxy]methylbenzene Formula: C14H17NOS MolecularWeight: 247.35588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N=C=S)OCC2=CC=CC=C2

Isomeric SMILES

C1CC[C@@H]([C@H](C1)N=C=S)OCC2=CC=CC=C2

InChI

InChI=1S/C14H17NOS/c17-11-15-13-8-4-5-9-14(13)16-10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-10H2/t13-,14-/m0/s1