4,6-bis(oxidanyl)-2-[1-oxidanyl-2-(4-phenylphenyl)carbonyloxy-ethyl]hexanoic acid

Systemtic Name: 4,6-bis(oxidanyl)-2-[1-oxidanyl-2-(4-phenylphenyl)carbonyloxy-ethyl]hexanoic acid Openeye Name: 4,6-dihydroxy-2-[1-hydroxy-2-(4-phenylbenzoyl)oxy-ethyl]hexanoic acid CAS Name: 4,6-dihydroxy-2-[1-hydroxy-2-[oxo-(4-phenylphenyl)methoxy]ethyl]hexanoic acid IUPAC Name: 4,6-dihydroxy-2-[1-hydroxy-2-(4-phenylbenzoyl)oxyethyl]hexanoic acid Traditional Name: 4,6-dihydroxy-2-[1-hydroxy-2-(4-phenylbenzoyl)oxy-ethyl]hexanoic acid Formula: C21H24O7 MolecularWeight: 388.41106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(C(CC(CCO)O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(C(CC(CCO)O)C(=O)O)O

InChI

InChI=1S/C21H24O7/c22-11-10-17(23)12-18(20(25)26)19(24)13-28-21(27)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17-19,22-24H,10-13H2,(H,25,26)