8-[2,4-bis(oxidanyl)-6-pentyl-phenoxy]-6-oxidanyl-3-pentyl-isochromen-1-one

Systemtic Name: 8-[2,4-bis(oxidanyl)-6-pentyl-phenoxy]-6-oxidanyl-3-pentyl-isochromen-1-one Openeye Name: 8-(2,4-dihydroxy-6-pentyl-phenoxy)-6-hydroxy-3-pentyl-isochromen-1-one CAS Name: 8-(2,4-dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentyl-2-benzopyran-1-one IUPAC Name: 8-(2,4-dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentylisochromen-1-one Traditional Name: 3-amyl-8-(2-amyl-4,6-dihydroxy-phenoxy)-6-hydroxy-isocoumarin Formula: C25H30O6 MolecularWeight: 426.5021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC(=C1OC2=C3C(=CC(=C2)O)C=C(OC3=O)CCCCC)O)O

Isomeric SMILES

CCCCCC1=CC(=CC(=C1OC2=C3C(=CC(=C2)O)C=C(OC3=O)CCCCC)O)O

InChI

InChI=1S/C25H30O6/c1-3-5-7-9-16-11-18(26)14-21(28)24(16)31-22-15-19(27)12-17-13-20(10-8-6-4-2)30-25(29)23(17)22/h11-15,26-28H,3-10H2,1-2H3