(3,4,5-trimethoxyphenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (3,4,5-trimethoxyphenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (3,4,5-trimethoxyphenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3,4,5-trimethoxyphenyl)methyl ester IUPAC Name: (3,4,5-trimethoxyphenyl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3,4,5-trimethoxybenzyl) ester Formula: C20H22O5S2 MolecularWeight: 406.51568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)COC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)COC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C20H22O5S2/c1-22-16-10-13(11-17(23-2)18(16)24-3)12-25-19(21)14-4-6-15(7-5-14)20-26-8-9-27-20/h4-7,10-11,20H,8-9,12H2,1-3H3