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

Systemtic Name: [(2R,4R,6R)-6-(4-bromophenyl)-4-methyl-4-oxidanyl-oxan-2-yl]methyl thiocyanate Openeye Name: [(2R,4R,6R)-6-(4-bromophenyl)-4-hydroxy-4-methyl-tetrahydropyran-2-yl]methyl thiocyanate CAS Name: thiocyanic acid [(2R,4R,6R)-6-(4-bromophenyl)-4-hydroxy-4-methyl-2-oxanyl]methyl ester IUPAC Name: [(2R,4R,6R)-6-(4-bromophenyl)-4-hydroxy-4-methyloxan-2-yl]methyl thiocyanate Traditional Name: thiocyanic acid [(2R,4R,6R)-6-(4-bromophenyl)-4-hydroxy-4-methyl-tetrahydropyran-2-yl]methyl ester Formula: C14H16BrNO2S MolecularWeight: 342.25134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC(C1)C2=CC=C(C=C2)Br)CSC#N)O

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO2S/c1-14(17)6-12(8-19-9-16)18-13(7-14)10-2-4-11(15)5-3-10/h2-5,12-13,17H,6-8H2,1H3/t12-,13-,14+/m1/s1