2-isothiocyanato-2-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-isothiocyanato-2-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 2-(4-benzyloxyphenyl)-2-isothiocyanato-propanoic acid CAS Name: 2-isothiocyanato-2-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-isothiocyanato-2-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 2-(4-benzoxyphenyl)-2-isothiocyanato-propionic acid Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)(C(=O)O)N=C=S

Isomeric SMILES

CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)(C(=O)O)N=C=S

InChI

InChI=1S/C17H15NO3S/c1-17(16(19)20,18-12-22)14-7-9-15(10-8-14)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)