(2S,3R)-7-bromanyl-3-(hydroxymethyl)-3-phenyl-2H-1-benzofuran-2-carbonitrile

Systemtic Name: (2S,3R)-7-bromanyl-3-(hydroxymethyl)-3-phenyl-2H-1-benzofuran-2-carbonitrile Openeye Name: (2S,3R)-7-bromo-3-(hydroxymethyl)-3-phenyl-2H-benzofuran-2-carbonitrile CAS Name: (2S,3R)-7-bromo-3-(hydroxymethyl)-3-phenyl-2H-benzofuran-2-carbonitrile IUPAC Name: (2S,3R)-7-bromo-3-(hydroxymethyl)-3-phenyl-2H-1-benzofuran-2-carbonitrile Traditional Name: (2S,3R)-7-bromo-3-methylol-3-phenyl-coumaran-2-carbonitrile Formula: C16H12BrNO2 MolecularWeight: 330.17598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C(OC3=C2C=CC=C3Br)C#N)CO

Isomeric SMILES

C1=CC=C(C=C1)[C@]2([C@H](OC3=C2C=CC=C3Br)C#N)CO

InChI

InChI=1S/C16H12BrNO2/c17-13-8-4-7-12-15(13)20-14(9-18)16(12,10-19)11-5-2-1-3-6-11/h1-8,14,19H,10H2/t14-,16-/m1/s1