3-(2-methoxy-4-oxidanyl-6-pentyl-phenyl)carbonyloxy-2,4-bis(oxidanyl)-6-pentyl-benzoic acid

Systemtic Name: 3-(2-methoxy-4-oxidanyl-6-pentyl-phenyl)carbonyloxy-2,4-bis(oxidanyl)-6-pentyl-benzoic acid Openeye Name: 2,4-dihydroxy-3-(4-hydroxy-2-methoxy-6-pentyl-benzoyl)oxy-6-pentyl-benzoic acid CAS Name: 2,4-dihydroxy-3-[(4-hydroxy-2-methoxy-6-pentylphenyl)-oxomethoxy]-6-pentylbenzoic acid IUPAC Name: 2,4-dihydroxy-3-(4-hydroxy-2-methoxy-6-pentylbenzoyl)oxy-6-pentylbenzoic acid Traditional Name: 6-amyl-3-(2-amyl-4-hydroxy-6-methoxy-benzoyl)oxy-2,4-dihydroxy-benzoic acid Formula: C25H32O8 MolecularWeight: 460.51678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC(=C1C(=O)OC2=C(C=C(C(=C2O)C(=O)O)CCCCC)O)OC)O

Isomeric SMILES

CCCCCC1=CC(=CC(=C1C(=O)OC2=C(C=C(C(=C2O)C(=O)O)CCCCC)O)OC)O

InChI

InChI=1S/C25H32O8/c1-4-6-8-10-15-12-17(26)14-19(32-3)20(15)25(31)33-23-18(27)13-16(11-9-7-5-2)21(22(23)28)24(29)30/h12-14,26-28H,4-11H2,1-3H3,(H,29,30)