4-[(4-iodophenyl)methylsulfanyl]-3-methyl-benzoic acid

Systemtic Name: 4-[(4-iodophenyl)methylsulfanyl]-3-methyl-benzoic acid Openeye Name: 4-[(4-iodophenyl)methylsulfanyl]-3-methyl-benzoic acid CAS Name: 4-[(4-iodophenyl)methylthio]-3-methylbenzoic acid IUPAC Name: 4-[(4-iodophenyl)methylsulfanyl]-3-methylbenzoic acid Traditional Name: 4-[(4-iodobenzyl)thio]-3-methyl-benzoic acid Formula: C15H13IO2S MolecularWeight: 384.23199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)SCC2=CC=C(C=C2)I

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)SCC2=CC=C(C=C2)I

InChI

InChI=1S/C15H13IO2S/c1-10-8-12(15(17)18)4-7-14(10)19-9-11-2-5-13(16)6-3-11/h2-8H,9H2,1H3,(H,17,18)