1-[4-methyl-3,6-bis(oxidanyl)-2-propyl-phenyl]hexadecan-1-one

Systemtic Name: 1-[4-methyl-3,6-bis(oxidanyl)-2-propyl-phenyl]hexadecan-1-one Openeye Name: 1-(3,6-dihydroxy-4-methyl-2-propyl-phenyl)hexadecan-1-one CAS Name: 1-(3,6-dihydroxy-4-methyl-2-propylphenyl)-1-hexadecanone IUPAC Name: 1-(3,6-dihydroxy-4-methyl-2-propylphenyl)hexadecan-1-one Traditional Name: 1-(3,6-dihydroxy-4-methyl-2-propyl-phenyl)hexadecan-1-one Formula: C26H44O3 MolecularWeight: 404.62576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1=C(C=C(C(=C1CCC)O)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1=C(C=C(C(=C1CCC)O)C)O

InChI

InChI=1S/C26H44O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-23(27)25-22(18-5-2)26(29)21(3)20-24(25)28/h20,28-29H,4-19H2,1-3H3