3-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethylsulfanyl]benzoic acid

Systemtic Name: 3-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethylsulfanyl]benzoic acid Openeye Name: 3-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethylsulfanyl]benzoic acid CAS Name: 3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethylthio]benzoic acid IUPAC Name: 3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethylsulfanyl]benzoic acid Traditional Name: 3-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethylthio]benzoic acid Formula: C20H22O5S MolecularWeight: 374.45068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCSC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCSC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C20H22O5S/c1-3-5-17-18(9-8-16(13(2)21)19(17)22)25-10-11-26-15-7-4-6-14(12-15)20(23)24/h4,6-9,12,22H,3,5,10-11H2,1-2H3,(H,23,24)