3-[[2,6-bis(chloranyl)phenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]sulfanylmethyl]benzoic acid Openeye Name: 3-[(2,6-dichlorophenyl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(2,6-dichlorophenyl)thio]methyl]benzoic acid IUPAC Name: 3-[(2,6-dichlorophenyl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(2,6-dichlorophenyl)thio]methyl]benzoic acid Formula: C14H10Cl2O2S MolecularWeight: 313.199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=C(C=CC=C2Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=C(C=CC=C2Cl)Cl)C(=O)O

InChI

InChI=1S/C14H10Cl2O2S/c15-11-5-2-6-12(16)13(11)19-8-9-3-1-4-10(7-9)14(17)18/h1-7H,8H2,(H,17,18)