3-[3,4-bis(oxidanyl)phenyl]propyl 2-methylbutanoate

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]propyl 2-methylbutanoate Openeye Name: 3-(3,4-dihydroxyphenyl)propyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 3-(3,4-dihydroxyphenyl)propyl ester IUPAC Name: 3-(3,4-dihydroxyphenyl)propyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 3-(3,4-dihydroxyphenyl)propyl ester Formula: C14H20O4 MolecularWeight: 252.3062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCCCC1=CC(=C(C=C1)O)O

Isomeric SMILES

CCC(C)C(=O)OCCCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C14H20O4/c1-3-10(2)14(17)18-8-4-5-11-6-7-12(15)13(16)9-11/h6-7,9-10,15-16H,3-5,8H2,1-2H3