[(2R,4S)-2-(4-nitrophenyl)oxan-4-yl] thiocyanate

Systemtic Name: [(2R,4S)-2-(4-nitrophenyl)oxan-4-yl] thiocyanate Openeye Name: [(2R,4S)-2-(4-nitrophenyl)tetrahydropyran-4-yl] thiocyanate CAS Name: thiocyanic acid [(2R,4S)-2-(4-nitrophenyl)-4-oxanyl] ester IUPAC Name: [(2R,4S)-2-(4-nitrophenyl)oxan-4-yl] thiocyanate Traditional Name: thiocyanic acid [(2R,4S)-2-(4-nitrophenyl)tetrahydropyran-4-yl] ester Formula: C12H12N2O3S MolecularWeight: 264.30028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(CC1SC#N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CO[C@H](C[C@H]1SC#N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O3S/c13-8-18-11-5-6-17-12(7-11)9-1-3-10(4-2-9)14(15)16/h1-4,11-12H,5-7H2/t11-,12+/m0/s1