4-chloranylbenzenethiol; 4-(chloromethyl)benzoic acid

Systemtic Name: 4-chloranylbenzenethiol; 4-(chloromethyl)benzoic acid Openeye Name: 4-chlorobenzenethiol; 4-(chloromethyl)benzoic acid CAS Name: 4-chlorobenzenethiol; 4-(chloromethyl)benzoic acid IUPAC Name: 4-chlorobenzenethiol; 4-(chloromethyl)benzoic acid Traditional Name: 4-chlorobenzenethiol; 4-(chloromethyl)benzoic acid Formula: C14H12Cl2O2S MolecularWeight: 315.21488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCl)C(=O)O.C1=CC(=CC=C1S)Cl

Isomeric SMILES

C1=CC(=CC=C1CCl)C(=O)O.C1=CC(=CC=C1S)Cl

InChI

InChI=1S/C8H7ClO2.C6H5ClS/c9-5-6-1-3-7(4-2-6)8(10)11;7-5-1-3-6(8)4-2-5/h1-4H,5H2,(H,10,11);1-4,8H