3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl 2-(3-chlorophenyl)ethanoate

Systemtic Name: 3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl 2-(3-chlorophenyl)ethanoate Openeye Name: 3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl 2-(3-chlorophenyl)acetate CAS Name: 2-(3-chlorophenyl)acetic acid [3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio] ester IUPAC Name: 3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl 2-(3-chlorophenyl)acetate Traditional Name: 2-(3-chlorophenyl)acetic acid [3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio] ester Formula: C22H25ClO5S MolecularWeight: 436.9489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSOC(=O)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSOC(=O)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C22H25ClO5S/c1-3-6-19-20(10-9-18(15(2)24)22(19)26)27-11-5-12-29-28-21(25)14-16-7-4-8-17(23)13-16/h4,7-10,13,26H,3,5-6,11-12,14H2,1-2H3