[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(trifluoromethyl)benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(trifluoromethyl)benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C18H15F3O3S2 MolecularWeight: 400.43511

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H15F3O3S2/c1-23-15-10-12(17-25-7-8-26-17)5-6-14(15)24-16(22)11-3-2-4-13(9-11)18(19,20)21/h2-6,9-10,17H,7-8H2,1H3