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

Systemtic Name: [(2R,3R)-4-oxidanylidene-2-(4-propan-2-ylphenyl)-2,3-dihydrochromen-3-yl] thiocyanate Openeye Name: [(2R,3R)-2-(4-isopropylphenyl)-4-oxo-chroman-3-yl] thiocyanate CAS Name: thiocyanic acid [(2R,3R)-4-oxo-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2R,3R)-4-oxo-2-(4-propan-2-ylphenyl)-2,3-dihydrochromen-3-yl] thiocyanate Traditional Name: thiocyanic acid [(2R,3R)-4-keto-2-p-cumenyl-chroman-3-yl] ester Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO2S/c1-12(2)13-7-9-14(10-8-13)18-19(23-11-20)17(21)15-5-3-4-6-16(15)22-18/h3-10,12,18-19H,1-2H3/t18-,19+/m1/s1