methyl 2,6-bis(oxidanyl)-4-pentyl-benzoate

Systemtic Name: methyl 2,6-bis(oxidanyl)-4-pentyl-benzoate Openeye Name: methyl 2,6-dihydroxy-4-pentyl-benzoate CAS Name: 2,6-dihydroxy-4-pentylbenzoic acid methyl ester IUPAC Name: methyl 2,6-dihydroxy-4-pentylbenzoate Traditional Name: 4-amyl-2,6-dihydroxy-benzoic acid methyl ester Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)O)C(=O)OC)O

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)O)C(=O)OC)O

InChI

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