dodecanoic acid; 2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfinyl]-1H-benzimidazole

Systemtic Name: dodecanoic acid; 2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfinyl]-1H-benzimidazole Openeye Name: dodecanoic acid; 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfinyl]-1H-benzimidazole CAS Name: dodecanoic acid; 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole IUPAC Name: dodecanoic acid; 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole Traditional Name: lauric acid; 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfinyl]-1H-benzimidazole Formula: C28H38F3N3O4S MolecularWeight: 569.67923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)O.CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F

Isomeric SMILES

CCCCCCCCCCCC(=O)O.CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F

InChI

InChI=1S/C16H14F3N3O2S.C12H24O2/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-7H,8-9H2,1H3,(H,21,22);2-11H2,1H3,(H,13,14)