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2-[2,3-bis(oxidanyl)phenyl]docosanoic acid

2-[2,3-bis(oxidanyl)phenyl]docosanoic acid

Systemtic Name:2-[2,3-bis(oxidanyl)phenyl]docosanoic acid
Openeye Name:2-(2,3-dihydroxyphenyl)docosanoic acid
CAS Name:2-(2,3-dihydroxyphenyl)docosanoic acid
IUPAC Name:2-(2,3-dihydroxyphenyl)docosanoic acid
Traditional Name:2-(2,3-dihydroxyphenyl)behenic acid
Formula: C28H48O4
MolecularWeight: 448.67832
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C1=C(C(=CC=C1)O)O)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C1=C(C(=CC=C1)O)O)C(=O)O


InChI

InChI=1S/C28H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25(28(31)32)24-22-20-23-26(29)27(24)30/h20,22-23,25,29-30H,2-19,21H2,1H3,(H,31,32)


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