4,5,5-trimethyl-6-octadecan-9-yloxy-6-oxidanylidene-hexanoic acid

Systemtic Name: 4,5,5-trimethyl-6-octadecan-9-yloxy-6-oxidanylidene-hexanoic acid Openeye Name: 4,5,5-trimethyl-6-(1-octyldecoxy)-6-oxo-hexanoic acid CAS Name: 4,5,5-trimethyl-6-octadecan-9-yloxy-6-oxohexanoic acid IUPAC Name: 4,5,5-trimethyl-6-octadecan-9-yloxy-6-oxohexanoic acid Traditional Name: 6-keto-4,5,5-trimethyl-6-(1-octyldecoxy)hexanoic acid Formula: C27H52O4 MolecularWeight: 440.69938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)OC(=O)C(C)(C)C(C)CCC(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)OC(=O)C(C)(C)C(C)CCC(=O)O

InChI

InChI=1S/C27H52O4/c1-6-8-10-12-14-16-18-20-24(19-17-15-13-11-9-7-2)31-26(30)27(4,5)23(3)21-22-25(28)29/h23-24H,6-22H2,1-5H3,(H,28,29)