3,5-bis(4-fluoranyl-3-methyl-phenyl)-4-(2-hydroxyethyloxy)-2-(8-phenyloctyl)benzoic acid

Systemtic Name: 3,5-bis(4-fluoranyl-3-methyl-phenyl)-4-(2-hydroxyethyloxy)-2-(8-phenyloctyl)benzoic acid Openeye Name: 3,5-bis(4-fluoro-3-methyl-phenyl)-4-(2-hydroxyethoxy)-2-(8-phenyloctyl)benzoic acid CAS Name: 3,5-bis(4-fluoro-3-methylphenyl)-4-(2-hydroxyethoxy)-2-(8-phenyloctyl)benzoic acid IUPAC Name: 3,5-bis(4-fluoro-3-methylphenyl)-4-(2-hydroxyethoxy)-2-(8-phenyloctyl)benzoic acid Traditional Name: 3,5-bis(4-fluoro-3-methyl-phenyl)-4-(2-hydroxyethoxy)-2-(8-phenyloctyl)benzoic acid Formula: C37H40F2O4 MolecularWeight: 586.707906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C(=C2OCCO)C3=CC(=C(C=C3)F)C)CCCCCCCCC4=CC=CC=C4)C(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C(=C2OCCO)C3=CC(=C(C=C3)F)C)CCCCCCCCC4=CC=CC=C4)C(=O)O)F

InChI

InChI=1S/C37H40F2O4/c1-25-22-28(16-18-33(25)38)31-24-32(37(41)42)30(15-11-6-4-3-5-8-12-27-13-9-7-10-14-27)35(36(31)43-21-20-40)29-17-19-34(39)26(2)23-29/h7,9-10,13-14,16-19,22-24,40H,3-6,8,11-12,15,20-21H2,1-2H3,(H,41,42)