isothiocyanato 2,2-dimethyl-3-phenyl-propanoate

Systemtic Name: isothiocyanato 2,2-dimethyl-3-phenyl-propanoate Openeye Name: isothiocyanato 2,2-dimethyl-3-phenyl-propanoate CAS Name: 2,2-dimethyl-3-phenylpropanoic acid isothiocyanato ester IUPAC Name: isothiocyanato 2,2-dimethyl-3-phenylpropanoate Traditional Name: 2,2-dimethyl-3-phenyl-propionic acid isothiocyanato ester Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)C(=O)ON=C=S

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)C(=O)ON=C=S

InChI

InChI=1S/C12H13NO2S/c1-12(2,11(14)15-13-9-16)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3