3-oxidanylidene-2-[1-oxidanyl-2-oxidanylidene-2-(4-propylphenyl)ethyl]hexanoate

Systemtic Name: 3-oxidanylidene-2-[1-oxidanyl-2-oxidanylidene-2-(4-propylphenyl)ethyl]hexanoate Openeye Name: 2-[1-hydroxy-2-oxo-2-(4-propylphenyl)ethyl]-3-oxo-hexanoate CAS Name: 2-[1-hydroxy-2-oxo-2-(4-propylphenyl)ethyl]-3-oxohexanoate IUPAC Name: 2-[1-hydroxy-2-oxo-2-(4-propylphenyl)ethyl]-3-oxohexanoate Traditional Name: 2-[1-hydroxy-2-keto-2-(4-propylphenyl)ethyl]-3-keto-hexanoate Formula: C17H21O5- MolecularWeight: 305.34564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(C(C(=O)CCC)C(=O)[O-])O

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)C(C(C(=O)CCC)C(=O)[O-])O

InChI

InChI=1S/C17H22O5/c1-3-5-11-7-9-12(10-8-11)15(19)16(20)14(17(21)22)13(18)6-4-2/h7-10,14,16,20H,3-6H2,1-2H3,(H,21,22)/p-1