5-(4-octadecylphenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-octadecylphenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-octadecylphenyl)-5-oxo-pentanoic acid CAS Name: 5-(4-octadecylphenyl)-5-oxopentanoic acid IUPAC Name: 5-(4-octadecylphenyl)-5-oxopentanoic acid Traditional Name: 5-keto-5-(4-stearylphenyl)valeric acid Formula: C29H48O3 MolecularWeight: 444.68962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CCCC(=O)O

InChI

InChI=1S/C29H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-22-24-27(25-23-26)28(30)20-18-21-29(31)32/h22-25H,2-21H2,1H3,(H,31,32)