11-[3-(2-methyloctan-2-yl)-5-oxidanyl-phenoxy]undecanoic acid

Systemtic Name: 11-[3-(2-methyloctan-2-yl)-5-oxidanyl-phenoxy]undecanoic acid Openeye Name: 11-[3-(1,1-dimethylheptyl)-5-hydroxy-phenoxy]undecanoic acid CAS Name: 11-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]undecanoic acid IUPAC Name: 11-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]undecanoic acid Traditional Name: 11-[3-(1,1-dimethylheptyl)-5-hydroxy-phenoxy]undecanoic acid Formula: C26H44O4 MolecularWeight: 420.62516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=CC(=C1)OCCCCCCCCCCC(=O)O)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=CC(=C1)OCCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C26H44O4/c1-4-5-6-14-17-26(2,3)22-19-23(27)21-24(20-22)30-18-15-12-10-8-7-9-11-13-16-25(28)29/h19-21,27H,4-18H2,1-3H3,(H,28,29)