3-[2-[bis(fluoranyl)methyl]-1-benzothiophen-3-yl]-5-methoxycarbonyl-benzoic acid

Systemtic Name: 3-[2-[bis(fluoranyl)methyl]-1-benzothiophen-3-yl]-5-methoxycarbonyl-benzoic acid Openeye Name: 3-[2-(difluoromethyl)benzothiophen-3-yl]-5-methoxycarbonyl-benzoic acid CAS Name: 3-[2-(difluoromethyl)-1-benzothiophen-3-yl]-5-methoxycarbonylbenzoic acid IUPAC Name: 3-[2-(difluoromethyl)-1-benzothiophen-3-yl]-5-methoxycarbonylbenzoic acid Traditional Name: 3-carbomethoxy-5-[2-(difluoromethyl)benzothiophen-3-yl]benzoic acid Formula: C18H12F2O4S MolecularWeight: 362.347286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)O)C2=C(SC3=CC=CC=C32)C(F)F

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)O)C2=C(SC3=CC=CC=C32)C(F)F

InChI

InChI=1S/C18H12F2O4S/c1-24-18(23)11-7-9(6-10(8-11)17(21)22)14-12-4-2-3-5-13(12)25-15(14)16(19)20/h2-8,16H,1H3,(H,21,22)