4-[2,4-bis(oxidanyl)-6-(2-oxidanylideneheptyl)phenyl]carbonyloxy-2-methoxy-6-(2-oxidanylideneheptyl)benzoate

Systemtic Name: 4-[2,4-bis(oxidanyl)-6-(2-oxidanylideneheptyl)phenyl]carbonyloxy-2-methoxy-6-(2-oxidanylideneheptyl)benzoate Openeye Name: 4-[2,4-dihydroxy-6-(2-oxoheptyl)benzoyl]oxy-2-methoxy-6-(2-oxoheptyl)benzoate CAS Name: 4-[[2,4-dihydroxy-6-(2-oxoheptyl)phenyl]-oxomethoxy]-2-methoxy-6-(2-oxoheptyl)benzoate IUPAC Name: 4-[2,4-dihydroxy-6-(2-oxoheptyl)benzoyl]oxy-2-methoxy-6-(2-oxoheptyl)benzoate Traditional Name: 4-[2,4-dihydroxy-6-(2-ketoheptyl)benzoyl]oxy-2-(2-ketoheptyl)-6-methoxy-benzoate Formula: C29H35O9- MolecularWeight: 527.5828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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