6-(7-hexylhexadecan-7-yloxy)-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(7-hexylhexadecan-7-yloxy)-6-oxidanylidene-hexanoic acid Openeye Name: 6-(1,1-dihexyldecoxy)-6-oxo-hexanoic acid CAS Name: 6-(7-hexylhexadecan-7-yloxy)-6-oxohexanoic acid IUPAC Name: 6-(7-hexylhexadecan-7-yloxy)-6-oxohexanoic acid Traditional Name: 6-(1,1-dihexyldecoxy)-6-keto-hexanoic acid Formula: C28H54O4 MolecularWeight: 454.72596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCC)(CCCCCC)OC(=O)CCCCC(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCC)(CCCCCC)OC(=O)CCCCC(=O)O

InChI

InChI=1S/C28H54O4/c1-4-7-10-13-14-15-20-25-28(23-18-11-8-5-2,24-19-12-9-6-3)32-27(31)22-17-16-21-26(29)30/h4-25H2,1-3H3,(H,29,30)