2-[4-(4-tert-butylphenyl)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(4-tert-butylphenyl)phenyl]sulfanylethanoic acid Openeye Name: 2-[4-(4-tert-butylphenyl)phenyl]sulfanylacetic acid CAS Name: 2-[[4-(4-tert-butylphenyl)phenyl]thio]acetic acid IUPAC Name: 2-[4-(4-tert-butylphenyl)phenyl]sulfanylacetic acid Traditional Name: 2-[[4-(4-tert-butylphenyl)phenyl]thio]acetic acid Formula: C18H20O2S MolecularWeight: 300.4152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)SCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)SCC(=O)O

InChI

InChI=1S/C18H20O2S/c1-18(2,3)15-8-4-13(5-9-15)14-6-10-16(11-7-14)21-12-17(19)20/h4-11H,12H2,1-3H3,(H,19,20)