2-chloranyl-4-fluoranyl-5-isothiocyanato-benzenecarbothioic S-acid

Systemtic Name: 2-chloranyl-4-fluoranyl-5-isothiocyanato-benzenecarbothioic S-acid Openeye Name: 2-chloro-4-fluoro-5-isothiocyanato-benzenecarbothioic S-acid CAS Name: 2-chloro-4-fluoro-5-isothiocyanatobenzenecarbothioic S-acid IUPAC Name: 2-chloro-4-fluoro-5-isothiocyanatobenzenecarbothioic S-acid Traditional Name: 2-chloro-4-fluoro-5-isothiocyanato-thiobenzoic acid Formula: C8H3ClFNOS2 MolecularWeight: 247.696923

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N=C=S)F)Cl)C(=O)S

Isomeric SMILES

C1=C(C(=CC(=C1N=C=S)F)Cl)C(=O)S

InChI

InChI=1S/C8H3ClFNOS2/c9-5-2-6(10)7(11-3-13)1-4(5)8(12)14/h1-2H,(H,12,14)