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19-[3-(19-oxidanyl-19-oxidanylidene-nonadecyl)phenyl]nonadecanoic acid

19-[3-(19-oxidanyl-19-oxidanylidene-nonadecyl)phenyl]nonadecanoic acid

Systemtic Name:19-[3-(19-oxidanyl-19-oxidanylidene-nonadecyl)phenyl]nonadecanoic acid
Openeye Name:19-[3-(19-hydroxy-19-oxo-nonadecyl)phenyl]nonadecanoic acid
CAS Name:19-[3-(19-hydroxy-19-oxononadecyl)phenyl]nonadecanoic acid
IUPAC Name:19-[3-(19-hydroxy-19-oxononadecyl)phenyl]nonadecanoic acid
Traditional Name:19-[3-(19-hydroxy-19-keto-nonadecyl)phenyl]nonadecanoic acid
Formula: C44H78O4
MolecularWeight: 671.08772
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CCCCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCCCCC(=O)O


Isomeric SMILES

C1=CC(=CC(=C1)CCCCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCCCCC(=O)O


InChI

InChI=1S/C44H78O4/c45-43(46)38-31-27-23-19-15-11-7-3-1-5-9-13-17-21-25-29-34-41-36-33-37-42(40-41)35-30-26-22-18-14-10-6-2-4-8-12-16-20-24-28-32-39-44(47)48/h33,36-37,40H,1-32,34-35,38-39H2,(H,45,46)(H,47,48)


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