7,7-dimethyloctanoic acid; 4-dodecoxy-4-oxidanylidene-butanoic acid

Systemtic Name: 7,7-dimethyloctanoic acid; 4-dodecoxy-4-oxidanylidene-butanoic acid Openeye Name: 7,7-dimethyloctanoic acid; 4-dodecoxy-4-oxo-butanoic acid CAS Name: 7,7-dimethyloctanoic acid; 4-dodecoxy-4-oxobutanoic acid IUPAC Name: 7,7-dimethyloctanoic acid; 4-dodecoxy-4-oxobutanoic acid Traditional Name: 7,7-dimethylcaprylic acid; 4-keto-4-lauryloxy-butyric acid Formula: C26H50O6 MolecularWeight: 458.6716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCC(=O)O.CC(C)(C)CCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CCC(=O)O.CC(C)(C)CCCCCC(=O)O

InChI

InChI=1S/C16H30O4.C10H20O2/c1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;1-10(2,3)8-6-4-5-7-9(11)12/h2-14H2,1H3,(H,17,18);4-8H2,1-3H3,(H,11,12)