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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C19H20O5S2 MolecularWeight: 392.4891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20O5S2/c1-21-15-10-13(11-16(22-2)17(15)23-3)18(20)24-14-6-4-12(5-7-14)19-25-8-9-26-19/h4-7,10-11,19H,8-9H2,1-3H3