4-[(2S,3S)-5-decoxy-3-fluoranyl-5-methyl-hexan-2-yl]oxy-3-fluoranyl-benzoic acid

Systemtic Name: 4-[(2S,3S)-5-decoxy-3-fluoranyl-5-methyl-hexan-2-yl]oxy-3-fluoranyl-benzoic acid Openeye Name: 4-[(1S,2S)-4-decoxy-2-fluoro-1,4-dimethyl-pentoxy]-3-fluoro-benzoic acid CAS Name: 4-[(2S,3S)-5-decoxy-3-fluoro-5-methylhexan-2-yl]oxy-3-fluorobenzoic acid IUPAC Name: 4-[(2S,3S)-5-decoxy-3-fluoro-5-methylhexan-2-yl]oxy-3-fluorobenzoic acid Traditional Name: 4-[(1S,2S)-4-decoxy-2-fluoro-1,4-dimethyl-pentoxy]-3-fluoro-benzoic acid Formula: C24H38F2O4 MolecularWeight: 428.552926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(C)(C)CC(C(C)OC1=C(C=C(C=C1)C(=O)O)F)F

Isomeric SMILES

CCCCCCCCCCOC(C)(C)C[C@@H]([C@H](C)OC1=C(C=C(C=C1)C(=O)O)F)F

InChI

InChI=1S/C24H38F2O4/c1-5-6-7-8-9-10-11-12-15-29-24(3,4)17-21(26)18(2)30-22-14-13-19(23(27)28)16-20(22)25/h13-14,16,18,21H,5-12,15,17H2,1-4H3,(H,27,28)/t18-,21-/m0/s1