4-isocyanato-5-phenyl-pentanethioate

Systemtic Name: 4-isocyanato-5-phenyl-pentanethioate Openeye Name: 4-isocyanato-5-phenyl-pentanethioate CAS Name: 4-isocyanato-5-phenylpentanethioate IUPAC Name: 4-isocyanato-5-phenylpentanethioate Traditional Name: 4-isocyanato-5-phenyl-thiovalerate Formula: C12H12NO2S- MolecularWeight: 234.29418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CCC(=S)[O-])N=C=O

Isomeric SMILES

C1=CC=C(C=C1)CC(CCC(=S)[O-])N=C=O

InChI

InChI=1S/C12H13NO2S/c14-9-13-11(6-7-12(15)16)8-10-4-2-1-3-5-10/h1-5,11H,6-8H2,(H,15,16)/p-1