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

Systemtic Name: 2-[2-(4-heptylphenyl)-1-oxidanyl-2-oxidanylidene-ethyl]-3-oxidanylidene-hexanoate Openeye Name: 2-[2-(4-heptylphenyl)-1-hydroxy-2-oxo-ethyl]-3-oxo-hexanoate CAS Name: 2-[2-(4-heptylphenyl)-1-hydroxy-2-oxoethyl]-3-oxohexanoate IUPAC Name: 2-[2-(4-heptylphenyl)-1-hydroxy-2-oxoethyl]-3-oxohexanoate Traditional Name: 2-[2-(4-heptylphenyl)-1-hydroxy-2-keto-ethyl]-3-keto-hexanoate Formula: C21H29O5- MolecularWeight: 361.45196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)C(C(C(=O)CCC)C(=O)[O-])O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)C(C(C(=O)CCC)C(=O)[O-])O

InChI

InChI=1S/C21H30O5/c1-3-5-6-7-8-10-15-11-13-16(14-12-15)19(23)20(24)18(21(25)26)17(22)9-4-2/h11-14,18,20,24H,3-10H2,1-2H3,(H,25,26)/p-1