(1S,2S)-1-isothiocyanato-2-phenyl-cyclopropane-1-carboxylic acid

Systemtic Name: (1S,2S)-1-isothiocyanato-2-phenyl-cyclopropane-1-carboxylic acid Openeye Name: (1S,2S)-1-isothiocyanato-2-phenyl-cyclopropanecarboxylic acid CAS Name: (1S,2S)-1-isothiocyanato-2-phenyl-1-cyclopropanecarboxylic acid IUPAC Name: (1S,2S)-1-isothiocyanato-2-phenylcyclopropane-1-carboxylic acid Traditional Name: (1S,2S)-1-isothiocyanato-2-phenyl-cyclopropanecarboxylic acid Formula: C11H9NO2S MolecularWeight: 219.25966

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1(C(=O)O)N=C=S)C2=CC=CC=C2

Isomeric SMILES

C1[C@H]([C@@]1(C(=O)O)N=C=S)C2=CC=CC=C2

InChI

InChI=1S/C11H9NO2S/c13-10(14)11(12-7-15)6-9(11)8-4-2-1-3-5-8/h1-5,9H,6H2,(H,13,14)/t9-,11-/m0/s1