12-[3-(2-methyloctan-2-yl)-5-oxidanyl-phenoxy]dodecanoic acid

Systemtic Name: 12-[3-(2-methyloctan-2-yl)-5-oxidanyl-phenoxy]dodecanoic acid Openeye Name: 12-[3-(1,1-dimethylheptyl)-5-hydroxy-phenoxy]dodecanoic acid CAS Name: 12-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]dodecanoic acid IUPAC Name: 12-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]dodecanoic acid Traditional Name: 12-[3-(1,1-dimethylheptyl)-5-hydroxy-phenoxy]lauric acid Formula: C27H46O4 MolecularWeight: 434.65174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46O4/c1-4-5-6-15-18-27(2,3)23-20-24(28)22-25(21-23)31-19-16-13-11-9-7-8-10-12-14-17-26(29)30/h20-22,28H,4-19H2,1-3H3,(H,29,30)