2-(5-methoxy-3-oxidanyl-2-propyl-phenyl)ethanoate

Systemtic Name: 2-(5-methoxy-3-oxidanyl-2-propyl-phenyl)ethanoate Openeye Name: 2-(3-hydroxy-5-methoxy-2-propyl-phenyl)acetate CAS Name: 2-(3-hydroxy-5-methoxy-2-propylphenyl)acetate IUPAC Name: 2-(3-hydroxy-5-methoxy-2-propylphenyl)acetate Traditional Name: 2-(3-hydroxy-5-methoxy-2-propyl-phenyl)acetate Formula: C12H15O4- MolecularWeight: 223.2451

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1CC(=O)[O-])OC)O

Isomeric SMILES

CCCC1=C(C=C(C=C1CC(=O)[O-])OC)O

InChI

InChI=1S/C12H16O4/c1-3-4-10-8(6-12(14)15)5-9(16-2)7-11(10)13/h5,7,13H,3-4,6H2,1-2H3,(H,14,15)/p-1