2-[2-(1-oxidanylnonyl)phenyl]hexadecanoic acid

Systemtic Name: 2-[2-(1-oxidanylnonyl)phenyl]hexadecanoic acid Openeye Name: 2-[2-(1-hydroxynonyl)phenyl]hexadecanoic acid CAS Name: 2-[2-(1-hydroxynonyl)phenyl]hexadecanoic acid IUPAC Name: 2-[2-(1-hydroxynonyl)phenyl]hexadecanoic acid Traditional Name: 2-[2-(1-hydroxynonyl)phenyl]palmitic acid Formula: C31H54O3 MolecularWeight: 474.75866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C1=CC=CC=C1C(CCCCCCCC)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C1=CC=CC=C1C(CCCCCCCC)O)C(=O)O

InChI

InChI=1S/C31H54O3/c1-3-5-7-9-11-12-13-14-15-16-17-19-25-29(31(33)34)27-23-21-22-24-28(27)30(32)26-20-18-10-8-6-4-2/h21-24,29-30,32H,3-20,25-26H2,1-2H3,(H,33,34)