2-methyl-5,6-bis(oxidanyl)-3-pentyl-benzoic acid

Systemtic Name: 2-methyl-5,6-bis(oxidanyl)-3-pentyl-benzoic acid Openeye Name: 2,3-dihydroxy-6-methyl-5-pentyl-benzoic acid CAS Name: 2,3-dihydroxy-6-methyl-5-pentylbenzoic acid IUPAC Name: 2,3-dihydroxy-6-methyl-5-pentylbenzoic acid Traditional Name: 5-amyl-2,3-dihydroxy-6-methyl-benzoic acid Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1C)C(=O)O)O)O

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1C)C(=O)O)O)O

InChI

InChI=1S/C13H18O4/c1-3-4-5-6-9-7-10(14)12(15)11(8(9)2)13(16)17/h7,14-15H,3-6H2,1-2H3,(H,16,17)