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

Systemtic Name: 2-heptyl-4-[4-methoxy-2-oxidanyl-6-(2-oxidanylideneheptyl)phenyl]carbonyloxy-6-oxidanyl-benzoic acid Openeye Name: 2-heptyl-6-hydroxy-4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-benzoic acid CAS Name: 2-heptyl-6-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)phenyl]-oxomethoxy]benzoic acid IUPAC Name: 2-heptyl-6-hydroxy-4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxybenzoic acid Traditional Name: 2-heptyl-6-hydroxy-4-[2-hydroxy-6-(2-ketoheptyl)-4-methoxy-benzoyl]oxy-benzoic acid Formula: C29H38O8 MolecularWeight: 514.60722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=CC(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2CC(=O)CCCCC)OC)O

Isomeric SMILES

CCCCCCCC1=CC(=CC(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2CC(=O)CCCCC)OC)O

InChI

InChI=1S/C29H38O8/c1-4-6-8-9-11-12-19-15-23(18-24(31)26(19)28(33)34)37-29(35)27-20(14-21(30)13-10-7-5-2)16-22(36-3)17-25(27)32/h15-18,31-32H,4-14H2,1-3H3,(H,33,34)