methyl 12-[3-(2-methyloctan-2-yl)-5-oxidanyl-phenoxy]dodecanoate

Systemtic Name: methyl 12-[3-(2-methyloctan-2-yl)-5-oxidanyl-phenoxy]dodecanoate Openeye Name: methyl 12-[3-(1,1-dimethylheptyl)-5-hydroxy-phenoxy]dodecanoate CAS Name: 12-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]dodecanoic acid methyl ester IUPAC Name: methyl 12-[3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]dodecanoate Traditional Name: 12-[3-(1,1-dimethylheptyl)-5-hydroxy-phenoxy]lauric acid methyl ester Formula: C28H48O4 MolecularWeight: 448.67832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48O4/c1-5-6-7-16-19-28(2,3)24-21-25(29)23-26(22-24)32-20-17-14-12-10-8-9-11-13-15-18-27(30)31-4/h21-23,29H,5-20H2,1-4H3