[(2R,3R)-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl] thiocyanate

Systemtic Name: [(2R,3R)-4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl] thiocyanate Openeye Name: [(2R,3R)-4-oxo-2-phenyl-chroman-3-yl] thiocyanate CAS Name: thiocyanic acid [(2R,3R)-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2R,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] thiocyanate Traditional Name: thiocyanic acid [(2R,3R)-4-keto-2-phenyl-chroman-3-yl] ester Formula: C16H11NO2S MolecularWeight: 281.32904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)SC#N

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=CC=CC=C3O2)SC#N

InChI

InChI=1S/C16H11NO2S/c17-10-20-16-14(18)12-8-4-5-9-13(12)19-15(16)11-6-2-1-3-7-11/h1-9,15-16H/t15-,16+/m1/s1