methyl 2-[(4-hydroxyphenyl)methyl]-3-oxidanylidene-pentanoate

Systemtic Name: methyl 2-[(4-hydroxyphenyl)methyl]-3-oxidanylidene-pentanoate Openeye Name: methyl 2-[(4-hydroxyphenyl)methyl]-3-oxo-pentanoate CAS Name: 2-[(4-hydroxyphenyl)methyl]-3-oxopentanoic acid methyl ester IUPAC Name: methyl 2-[(4-hydroxyphenyl)methyl]-3-oxopentanoate Traditional Name: 2-(4-hydroxybenzyl)-3-keto-valeric acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC1=CC=C(C=C1)O)C(=O)OC

Isomeric SMILES

CCC(=O)C(CC1=CC=C(C=C1)O)C(=O)OC

InChI

InChI=1S/C13H16O4/c1-3-12(15)11(13(16)17-2)8-9-4-6-10(14)7-5-9/h4-7,11,14H,3,8H2,1-2H3