2-[2-hexanoyl-3,5-bis(oxidanyl)phenyl]ethanoic acid

Systemtic Name: 2-[2-hexanoyl-3,5-bis(oxidanyl)phenyl]ethanoic acid Openeye Name: 2-(2-hexanoyl-3,5-dihydroxy-phenyl)acetic acid CAS Name: 2-[3,5-dihydroxy-2-(1-oxohexyl)phenyl]acetic acid IUPAC Name: 2-(2-hexanoyl-3,5-dihydroxyphenyl)acetic acid Traditional Name: 2-(2-caproyl-3,5-dihydroxy-phenyl)acetic acid Formula: C14H18O5 MolecularWeight: 266.28972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C=C(C=C1CC(=O)O)O)O

Isomeric SMILES

CCCCCC(=O)C1=C(C=C(C=C1CC(=O)O)O)O

InChI

InChI=1S/C14H18O5/c1-2-3-4-5-11(16)14-9(7-13(18)19)6-10(15)8-12(14)17/h6,8,15,17H,2-5,7H2,1H3,(H,18,19)