[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-(4-propanoylphenoxy)ethanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-(4-propanoylphenoxy)ethanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-(4-propanoylphenoxy)acetate CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 2-(4-propanoylphenoxy)acetate Traditional Name: 2-(4-propionylphenoxy)acetic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H22O5S2 MolecularWeight: 418.52638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)OC2=C(C=C(C=C2)C3SCCS3)OC

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)OC2=C(C=C(C=C2)C3SCCS3)OC

InChI

InChI=1S/C21H22O5S2/c1-3-17(22)14-4-7-16(8-5-14)25-13-20(23)26-18-9-6-15(12-19(18)24-2)21-27-10-11-28-21/h4-9,12,21H,3,10-11,13H2,1-2H3