4-[2,4-bis(oxidanyl)-6-(2-oxidanylideneheptyl)phenyl]carbonyloxy-2-oxidanyl-6-pentyl-benzoic acid

Systemtic Name: 4-[2,4-bis(oxidanyl)-6-(2-oxidanylideneheptyl)phenyl]carbonyloxy-2-oxidanyl-6-pentyl-benzoic acid Openeye Name: 4-[2,4-dihydroxy-6-(2-oxoheptyl)benzoyl]oxy-2-hydroxy-6-pentyl-benzoic acid CAS Name: 4-[[2,4-dihydroxy-6-(2-oxoheptyl)phenyl]-oxomethoxy]-2-hydroxy-6-pentylbenzoic acid IUPAC Name: 4-[2,4-dihydroxy-6-(2-oxoheptyl)benzoyl]oxy-2-hydroxy-6-pentylbenzoic acid Traditional Name: 2-amyl-4-[2,4-dihydroxy-6-(2-ketoheptyl)benzoyl]oxy-6-hydroxy-benzoic acid Formula: C26H32O8 MolecularWeight: 472.52748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2CC(=O)CCCCC)O)O

Isomeric SMILES

CCCCCC1=CC(=CC(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2CC(=O)CCCCC)O)O

InChI

InChI=1S/C26H32O8/c1-3-5-7-9-16-13-20(15-22(30)23(16)25(31)32)34-26(33)24-17(12-19(28)14-21(24)29)11-18(27)10-8-6-4-2/h12-15,28-30H,3-11H2,1-2H3,(H,31,32)