11-butyl-4-nonyl-16-oxidanyl-hexadecanoic acid

Systemtic Name: 11-butyl-4-nonyl-16-oxidanyl-hexadecanoic acid Openeye Name: 11-butyl-16-hydroxy-4-nonyl-hexadecanoic acid CAS Name: 11-butyl-16-hydroxy-4-nonylhexadecanoic acid IUPAC Name: 11-butyl-16-hydroxy-4-nonylhexadecanoic acid Traditional Name: 11-butyl-16-hydroxy-4-nonyl-palmitic acid Formula: C29H58O3 MolecularWeight: 454.76902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCC(CCCC)CCCCCO)CCC(=O)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCC(CCCC)CCCCCO)CCC(=O)O

InChI

InChI=1S/C29H58O3/c1-3-5-7-8-9-10-14-22-28(24-25-29(31)32)23-16-12-11-15-20-27(19-6-4-2)21-17-13-18-26-30/h27-28,30H,3-26H2,1-2H3,(H,31,32)