[4-(1,3-dithiolan-2-yl)phenyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C18H17BrO4S2 MolecularWeight: 441.35918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C18H17BrO4S2/c1-21-14-9-12(10-15(22-2)16(14)19)17(20)23-13-5-3-11(4-6-13)18-24-7-8-25-18/h3-6,9-10,18H,7-8H2,1-2H3