2-[[3-(trifluoromethyl)phenyl]methyl]benzenecarbothioic S-acid

Systemtic Name: 2-[[3-(trifluoromethyl)phenyl]methyl]benzenecarbothioic S-acid Openeye Name: 2-[[3-(trifluoromethyl)phenyl]methyl]benzenecarbothioic S-acid CAS Name: 2-[[3-(trifluoromethyl)phenyl]methyl]benzenecarbothioic S-acid IUPAC Name: 2-[[3-(trifluoromethyl)phenyl]methyl]benzenecarbothioic S-acid Traditional Name: 2-[3-(trifluoromethyl)benzyl]thiobenzoic acid Formula: C15H11F3OS MolecularWeight: 296.30745

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC(=CC=C2)C(F)(F)F)C(=O)S

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC(=CC=C2)C(F)(F)F)C(=O)S

InChI

InChI=1S/C15H11F3OS/c16-15(17,18)12-6-3-4-10(9-12)8-11-5-1-2-7-13(11)14(19)20/h1-7,9H,8H2,(H,19,20)