5-(4-hexadecylphenyl)-3-methyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-hexadecylphenyl)-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-hexadecylphenyl)-3-methyl-5-oxo-pentanoic acid CAS Name: 5-(4-hexadecylphenyl)-3-methyl-5-oxopentanoic acid IUPAC Name: 5-(4-hexadecylphenyl)-3-methyl-5-oxopentanoic acid Traditional Name: 5-(4-cetylphenyl)-5-keto-3-methyl-valeric acid Formula: C28H46O3 MolecularWeight: 430.66304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CC(C)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CC(C)CC(=O)O

InChI

InChI=1S/C28H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-18-20-26(21-19-25)27(29)22-24(2)23-28(30)31/h18-21,24H,3-17,22-23H2,1-2H3,(H,30,31)