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

Systemtic Name: 4-[4-(2-methylheptan-2-yl)phenoxy]-2-oxidanyl-benzoic acid Openeye Name: 4-[4-(1,1-dimethylhexyl)phenoxy]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-4-[4-(2-methylheptan-2-yl)phenoxy]benzoic acid IUPAC Name: 2-hydroxy-4-[4-(2-methylheptan-2-yl)phenoxy]benzoic acid Traditional Name: 4-[4-(1,1-dimethylhexyl)phenoxy]-2-hydroxy-benzoic acid Formula: C21H26O4 MolecularWeight: 342.42874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O4/c1-4-5-6-13-21(2,3)15-7-9-16(10-8-15)25-17-11-12-18(20(23)24)19(22)14-17/h7-12,14,22H,4-6,13H2,1-3H3,(H,23,24)