4-[[2,6-bis(chloranyl)phenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[2,6-bis(chloranyl)phenyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[(2,6-dichlorophenyl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(2,6-dichlorophenyl)thio]methyl]benzoic acid IUPAC Name: 4-[(2,6-dichlorophenyl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(2,6-dichlorophenyl)thio]methyl]benzoic acid Formula: C14H10Cl2O2S MolecularWeight: 313.199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)SCC2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)SCC2=CC=C(C=C2)C(=O)O)Cl

InChI

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