[3-(hydroxymethyl)-2-oxidanyl-5-(phenylmethyl)phenyl] thiocyanate

Systemtic Name: [3-(hydroxymethyl)-2-oxidanyl-5-(phenylmethyl)phenyl] thiocyanate Openeye Name: [5-benzyl-2-hydroxy-3-(hydroxymethyl)phenyl] thiocyanate CAS Name: thiocyanic acid [2-hydroxy-3-(hydroxymethyl)-5-(phenylmethyl)phenyl] ester IUPAC Name: [5-benzyl-2-hydroxy-3-(hydroxymethyl)phenyl] thiocyanate Traditional Name: thiocyanic acid (5-benzyl-2-hydroxy-3-methylol-phenyl) ester Formula: C15H13NO2S MolecularWeight: 271.33422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)SC#N)O)CO

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)SC#N)O)CO

InChI

InChI=1S/C15H13NO2S/c16-10-19-14-8-12(7-13(9-17)15(14)18)6-11-4-2-1-3-5-11/h1-5,7-8,17-18H,6,9H2