pentyl 4-methyl-2-oxidanyl-benzoate

Systemtic Name: pentyl 4-methyl-2-oxidanyl-benzoate Openeye Name: pentyl 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid pentyl ester IUPAC Name: pentyl 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid amyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C=C(C=C1)C)O

Isomeric SMILES

CCCCCOC(=O)C1=C(C=C(C=C1)C)O

InChI

InChI=1S/C13H18O3/c1-3-4-5-8-16-13(15)11-7-6-10(2)9-12(11)14/h6-7,9,14H,3-5,8H2,1-2H3