4-methylpentyl 2-[3,4-bis(oxidanyl)phenyl]ethanoate

Systemtic Name: 4-methylpentyl 2-[3,4-bis(oxidanyl)phenyl]ethanoate Openeye Name: isohexyl 2-(3,4-dihydroxyphenyl)acetate CAS Name: 2-(3,4-dihydroxyphenyl)acetic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 2-(3,4-dihydroxyphenyl)acetate Traditional Name: 2-(3,4-dihydroxyphenyl)acetic acid isohexyl ester Formula: C14H20O4 MolecularWeight: 252.3062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)CC1=CC(=C(C=C1)O)O

Isomeric SMILES

CC(C)CCCOC(=O)CC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C14H20O4/c1-10(2)4-3-7-18-14(17)9-11-5-6-12(15)13(16)8-11/h5-6,8,10,15-16H,3-4,7,9H2,1-2H3