2-(4-isothiocyanatophenyl)sulfanylethanoic acid

Systemtic Name: 2-(4-isothiocyanatophenyl)sulfanylethanoic acid Openeye Name: 2-(4-isothiocyanatophenyl)sulfanylacetic acid CAS Name: 2-[(4-isothiocyanatophenyl)thio]acetic acid IUPAC Name: 2-(4-isothiocyanatophenyl)sulfanylacetic acid Traditional Name: 2-[(4-isothiocyanatophenyl)thio]acetic acid Formula: C9H7NO2S2 MolecularWeight: 225.28738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C=S)SCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=C=S)SCC(=O)O

InChI

InChI=1S/C9H7NO2S2/c11-9(12)5-14-8-3-1-7(2-4-8)10-6-13/h1-4H,5H2,(H,11,12)