2-methylheptan-2-yl 2-[2,5-bis(oxidanyl)phenyl]pentanoate

Systemtic Name: 2-methylheptan-2-yl 2-[2,5-bis(oxidanyl)phenyl]pentanoate Openeye Name: 1,1-dimethylhexyl 2-(2,5-dihydroxyphenyl)pentanoate CAS Name: 2-(2,5-dihydroxyphenyl)pentanoic acid 2-methylheptan-2-yl ester IUPAC Name: 2-methylheptan-2-yl 2-(2,5-dihydroxyphenyl)pentanoate Traditional Name: 2-(2,5-dihydroxyphenyl)valeric acid 1,1-dimethylhexyl ester Formula: C19H30O4 MolecularWeight: 322.4391

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)OC(=O)C(CCC)C1=C(C=CC(=C1)O)O

Isomeric SMILES

CCCCCC(C)(C)OC(=O)C(CCC)C1=C(C=CC(=C1)O)O

InChI

InChI=1S/C19H30O4/c1-5-7-8-12-19(3,4)23-18(22)15(9-6-2)16-13-14(20)10-11-17(16)21/h10-11,13,15,20-21H,5-9,12H2,1-4H3