4-[4-methoxy-2-oxidanyl-6-(2-oxidanylideneheptyl)phenyl]carbonyloxy-2-oxidanyl-6-(2-oxidanylideneheptyl)benzoic acid

Systemtic Name: 4-[4-methoxy-2-oxidanyl-6-(2-oxidanylideneheptyl)phenyl]carbonyloxy-2-oxidanyl-6-(2-oxidanylideneheptyl)benzoic acid Openeye Name: 2-hydroxy-4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-6-(2-oxoheptyl)benzoic acid CAS Name: 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)phenyl]-oxomethoxy]-6-(2-oxoheptyl)benzoic acid IUPAC Name: 2-hydroxy-4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-6-(2-oxoheptyl)benzoic acid Traditional Name: 2-hydroxy-4-[2-hydroxy-6-(2-ketoheptyl)-4-methoxy-benzoyl]oxy-6-(2-ketoheptyl)benzoic acid Formula: C29H36O9 MolecularWeight: 528.59074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)CC(=O)CCCCC)C(=O)O)O)O)OC

Isomeric SMILES

CCCCCC(=O)CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)CC(=O)CCCCC)C(=O)O)O)O)OC

InChI

InChI=1S/C29H36O9/c1-4-6-8-10-20(30)12-18-15-23(17-24(32)26(18)28(34)35)38-29(36)27-19(13-21(31)11-9-7-5-2)14-22(37-3)16-25(27)33/h14-17,32-33H,4-13H2,1-3H3,(H,34,35)