[4-(1,3-dithiolan-2-yl)phenyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C21H24O5S2 MolecularWeight: 420.54226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C21H24O5S2/c1-23-17-12-14(13-18(24-2)20(17)25-3)4-9-19(22)26-16-7-5-15(6-8-16)21-27-10-11-28-21/h5-8,12-13,21H,4,9-11H2,1-3H3