2-(4-tert-butylphenyl)sulfanyl-6-phenoxy-hexanoic acid

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-6-phenoxy-hexanoic acid Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-6-phenoxy-hexanoic acid CAS Name: 2-[(4-tert-butylphenyl)thio]-6-phenoxyhexanoic acid IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-6-phenoxyhexanoic acid Traditional Name: 2-[(4-tert-butylphenyl)thio]-6-phenoxy-hexanoic acid Formula: C22H28O3S MolecularWeight: 372.52092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC(CCCCOC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC(CCCCOC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H28O3S/c1-22(2,3)17-12-14-19(15-13-17)26-20(21(23)24)11-7-8-16-25-18-9-5-4-6-10-18/h4-6,9-10,12-15,20H,7-8,11,16H2,1-3H3,(H,23,24)