2-[4-(2-methylheptan-2-yl)phenoxy]benzoic acid

Systemtic Name: 2-[4-(2-methylheptan-2-yl)phenoxy]benzoic acid Openeye Name: 2-[4-(1,1-dimethylhexyl)phenoxy]benzoic acid CAS Name: 2-[4-(2-methylheptan-2-yl)phenoxy]benzoic acid IUPAC Name: 2-[4-(2-methylheptan-2-yl)phenoxy]benzoic acid Traditional Name: 2-[4-(1,1-dimethylhexyl)phenoxy]benzoic acid Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCC(C)(C)C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O

InChI

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