2-phenethyloxy-5-(sulfanylmethyl)benzoic acid

Systemtic Name: 2-phenethyloxy-5-(sulfanylmethyl)benzoic acid Openeye Name: 2-phenethyloxy-5-(sulfanylmethyl)benzoic acid CAS Name: 5-(mercaptomethyl)-2-phenethyloxybenzoic acid IUPAC Name: 2-phenethyloxy-5-(sulfanylmethyl)benzoic acid Traditional Name: 5-(mercaptomethyl)-2-phenethyloxy-benzoic acid Formula: C16H16O3S MolecularWeight: 288.36144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)CS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)CS)C(=O)O

InChI

InChI=1S/C16H16O3S/c17-16(18)14-10-13(11-20)6-7-15(14)19-9-8-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2,(H,17,18)