[(2S,4R,5S,6R)-4-oxidanyl-4,5,6-triphenyl-oxan-2-yl]methyl thiocyanate

Systemtic Name: [(2S,4R,5S,6R)-4-oxidanyl-4,5,6-triphenyl-oxan-2-yl]methyl thiocyanate Openeye Name: [(2S,4R,5S,6R)-4-hydroxy-4,5,6-triphenyl-tetrahydropyran-2-yl]methyl thiocyanate CAS Name: thiocyanic acid [(2S,4R,5S,6R)-4-hydroxy-4,5,6-triphenyl-2-oxanyl]methyl ester IUPAC Name: [(2S,4R,5S,6R)-4-hydroxy-4,5,6-triphenyloxan-2-yl]methyl thiocyanate Traditional Name: thiocyanic acid [(2S,4R,5S,6R)-4-hydroxy-4,5,6-triphenyl-tetrahydropyran-2-yl]methyl ester Formula: C25H23NO2S MolecularWeight: 401.52062

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4)CSC#N

Isomeric SMILES

C1[C@H](O[C@H]([C@@H]([C@]1(C2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4)CSC#N

InChI

InChI=1S/C25H23NO2S/c26-18-29-17-22-16-25(27,21-14-8-3-9-15-21)23(19-10-4-1-5-11-19)24(28-22)20-12-6-2-7-13-20/h1-15,22-24,27H,16-17H2/t22-,23-,24-,25-/m0/s1