3-(5-butyl-2-methyl-3-oxidanyl-phenyl)propanoate

Systemtic Name: 3-(5-butyl-2-methyl-3-oxidanyl-phenyl)propanoate Openeye Name: 3-(5-butyl-3-hydroxy-2-methyl-phenyl)propanoate CAS Name: 3-(5-butyl-3-hydroxy-2-methylphenyl)propanoate IUPAC Name: 3-(5-butyl-3-hydroxy-2-methylphenyl)propanoate Traditional Name: 3-(5-butyl-3-hydroxy-2-methyl-phenyl)propionate Formula: C14H19O3- MolecularWeight: 235.29886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C(=C1)O)C)CCC(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=C(C(=C1)O)C)CCC(=O)[O-]

InChI

InChI=1S/C14H20O3/c1-3-4-5-11-8-12(6-7-14(16)17)10(2)13(15)9-11/h8-9,15H,3-7H2,1-2H3,(H,16,17)/p-1