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

Systemtic Name: [(2R,3S)-2-(4-chlorophenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] thiocyanate Openeye Name: [(2R,3S)-2-(4-chlorophenyl)-4-oxo-chroman-3-yl] thiocyanate CAS Name: thiocyanic acid [(2R,3S)-2-(4-chlorophenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2R,3S)-2-(4-chlorophenyl)-4-oxo-2,3-dihydrochromen-3-yl] thiocyanate Traditional Name: thiocyanic acid [(2R,3S)-2-(4-chlorophenyl)-4-keto-chroman-3-yl] ester Formula: C16H10ClNO2S MolecularWeight: 315.7741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C(O2)C3=CC=C(C=C3)Cl)SC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)[C@H]([C@H](O2)C3=CC=C(C=C3)Cl)SC#N

InChI

InChI=1S/C16H10ClNO2S/c17-11-7-5-10(6-8-11)15-16(21-9-18)14(19)12-3-1-2-4-13(12)20-15/h1-8,15-16H/t15-,16-/m1/s1