2-methanoyl-4-(phenylmethyl)-6-thiocyanato-phenolate

Systemtic Name: 2-methanoyl-4-(phenylmethyl)-6-thiocyanato-phenolate Openeye Name: 4-benzyl-2-formyl-6-thiocyanato-phenolate CAS Name: 2-formyl-4-(phenylmethyl)-6-thiocyanatophenolate IUPAC Name: 4-benzyl-2-formyl-6-thiocyanatophenolate Traditional Name: 4-benzyl-2-formyl-6-thiocyanato-phenolate Formula: C15H10NO2S- MolecularWeight: 268.3104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=O)[O-])SC#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C(=C2)C=O)[O-])SC#N

InChI

InChI=1S/C15H11NO2S/c16-10-19-14-8-12(7-13(9-17)15(14)18)6-11-4-2-1-3-5-11/h1-5,7-9,18H,6H2/p-1