2-phenoxy-5-(2,4,4-trimethylpentan-2-yl)benzoic acid

Systemtic Name: 2-phenoxy-5-(2,4,4-trimethylpentan-2-yl)benzoic acid Openeye Name: 2-phenoxy-5-(1,1,3,3-tetramethylbutyl)benzoic acid CAS Name: 2-phenoxy-5-(2,4,4-trimethylpentan-2-yl)benzoic acid IUPAC Name: 2-phenoxy-5-(2,4,4-trimethylpentan-2-yl)benzoic acid Traditional Name: 2-phenoxy-5-(1,1,3,3-tetramethylbutyl)benzoic acid Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H26O3/c1-20(2,3)14-21(4,5)15-11-12-18(17(13-15)19(22)23)24-16-9-7-6-8-10-16/h6-13H,14H2,1-5H3,(H,22,23)