[4-oxidanyl-3-(3-oxidanylidenehexanoyl)phenyl] butanoate

Systemtic Name: [4-oxidanyl-3-(3-oxidanylidenehexanoyl)phenyl] butanoate Openeye Name: [4-hydroxy-3-(3-oxohexanoyl)phenyl] butanoate CAS Name: butanoic acid [3-(1,3-dioxohexyl)-4-hydroxyphenyl] ester IUPAC Name: [4-hydroxy-3-(3-oxohexanoyl)phenyl] butanoate Traditional Name: butyric acid [4-hydroxy-3-(3-ketohexanoyl)phenyl] ester Formula: C16H20O5 MolecularWeight: 292.327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O5/c1-3-5-11(17)9-15(19)13-10-12(7-8-14(13)18)21-16(20)6-4-2/h7-8,10,18H,3-6,9H2,1-2H3