(E)-2-(isothiocyanatomethyl)-3-phenyl-prop-2-enoic acid

Systemtic Name: (E)-2-(isothiocyanatomethyl)-3-phenyl-prop-2-enoic acid Openeye Name: (E)-2-(isothiocyanatomethyl)-3-phenyl-prop-2-enoic acid CAS Name: (E)-2-(isothiocyanatomethyl)-3-phenyl-2-propenoic acid IUPAC Name: (E)-2-(isothiocyanatomethyl)-3-phenylprop-2-enoic acid Traditional Name: (E)-2-(isothiocyanatomethyl)-3-phenyl-acrylic acid Formula: C11H9NO2S MolecularWeight: 219.25966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C(CN=C=S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C(\CN=C=S)/C(=O)O

InChI

InChI=1S/C11H9NO2S/c13-11(14)10(7-12-8-15)6-9-4-2-1-3-5-9/h1-6H,7H2,(H,13,14)/b10-6+