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

Systemtic Name: 2-[2-(4-octylphenyl)-1-oxidanyl-2-oxidanylidene-ethyl]-3-oxidanylidene-hexanoate Openeye Name: 2-[1-hydroxy-2-(4-octylphenyl)-2-oxo-ethyl]-3-oxo-hexanoate CAS Name: 2-[1-hydroxy-2-(4-octylphenyl)-2-oxoethyl]-3-oxohexanoate IUPAC Name: 2-[1-hydroxy-2-(4-octylphenyl)-2-oxoethyl]-3-oxohexanoate Traditional Name: 2-[1-hydroxy-2-keto-2-(4-octylphenyl)ethyl]-3-keto-hexanoate Formula: C22H31O5- MolecularWeight: 375.47854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)C(C(C(=O)CCC)C(=O)[O-])O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)C(C(C(=O)CCC)C(=O)[O-])O

InChI

InChI=1S/C22H32O5/c1-3-5-6-7-8-9-11-16-12-14-17(15-13-16)20(24)21(25)19(22(26)27)18(23)10-4-2/h12-15,19,21,25H,3-11H2,1-2H3,(H,26,27)/p-1