[(2R,4R,6R)-4-methyl-6-(4-nitrophenyl)-4-oxidanyl-oxan-2-yl]methyl thiocyanate

Systemtic Name: [(2R,4R,6R)-4-methyl-6-(4-nitrophenyl)-4-oxidanyl-oxan-2-yl]methyl thiocyanate Openeye Name: [(2R,4R,6R)-4-hydroxy-4-methyl-6-(4-nitrophenyl)tetrahydropyran-2-yl]methyl thiocyanate CAS Name: thiocyanic acid [(2R,4R,6R)-4-hydroxy-4-methyl-6-(4-nitrophenyl)-2-oxanyl]methyl ester IUPAC Name: [(2R,4R,6R)-4-hydroxy-4-methyl-6-(4-nitrophenyl)oxan-2-yl]methyl thiocyanate Traditional Name: thiocyanic acid [(2R,4R,6R)-4-hydroxy-4-methyl-6-(4-nitrophenyl)tetrahydropyran-2-yl]methyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC(C1)C2=CC=C(C=C2)[N+](=O)[O-])CSC#N)O

Isomeric SMILES

C[C@@]1(C[C@@H](O[C@H](C1)C2=CC=C(C=C2)[N+](=O)[O-])CSC#N)O

InChI

InChI=1S/C14H16N2O4S/c1-14(17)6-12(8-21-9-15)20-13(7-14)10-2-4-11(5-3-10)16(18)19/h2-5,12-13,17H,6-8H2,1H3/t12-,13-,14+/m1/s1