4-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]benzoic acid

Systemtic Name: 4-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]benzoic acid Openeye Name: 4-(2,3-difluoro-4-heptoxy-phenyl)benzoic acid CAS Name: 4-(2,3-difluoro-4-heptoxyphenyl)benzoic acid IUPAC Name: 4-(2,3-difluoro-4-heptoxyphenyl)benzoic acid Traditional Name: 4-(2,3-difluoro-4-heptoxy-phenyl)benzoic acid Formula: C20H22F2O3 MolecularWeight: 348.383686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C(=O)O)F)F

Isomeric SMILES

CCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C(=O)O)F)F

InChI

InChI=1S/C20H22F2O3/c1-2-3-4-5-6-13-25-17-12-11-16(18(21)19(17)22)14-7-9-15(10-8-14)20(23)24/h7-12H,2-6,13H2,1H3,(H,23,24)