(4-isothiocyanatophenyl) benzoate

Systemtic Name: (4-isothiocyanatophenyl) benzoate Openeye Name: (4-isothiocyanatophenyl) benzoate CAS Name: benzoic acid (4-isothiocyanatophenyl) ester IUPAC Name: (4-isothiocyanatophenyl) benzoate Traditional Name: benzoic acid (4-isothiocyanatophenyl) ester Formula: C14H9NO2S MolecularWeight: 255.29176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C14H9NO2S/c16-14(11-4-2-1-3-5-11)17-13-8-6-12(7-9-13)15-10-18/h1-9H