4,6-bis(oxidanyl)-3-(6-oxidanyl-1-oxidanylidene-3-pentyl-isochromen-8-yl)oxy-2-pentyl-benzoate

Systemtic Name: 4,6-bis(oxidanyl)-3-(6-oxidanyl-1-oxidanylidene-3-pentyl-isochromen-8-yl)oxy-2-pentyl-benzoate Openeye Name: 4,6-dihydroxy-3-(6-hydroxy-1-oxo-3-pentyl-isochromen-8-yl)oxy-2-pentyl-benzoate CAS Name: 4,6-dihydroxy-3-[(6-hydroxy-1-oxo-3-pentyl-2-benzopyran-8-yl)oxy]-2-pentylbenzoate IUPAC Name: 4,6-dihydroxy-3-(6-hydroxy-1-oxo-3-pentylisochromen-8-yl)oxy-2-pentylbenzoate Traditional Name: 2-amyl-3-(3-amyl-6-hydroxy-1-keto-isochromen-8-yl)oxy-4,6-dihydroxy-benzoate Formula: C26H29O8- MolecularWeight: 469.50366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=CC(=CC(=C2C(=O)O1)OC3=C(C=C(C(=C3CCCCC)C(=O)[O-])O)O)O

Isomeric SMILES

CCCCCC1=CC2=CC(=CC(=C2C(=O)O1)OC3=C(C=C(C(=C3CCCCC)C(=O)[O-])O)O)O

InChI

InChI=1S/C26H30O8/c1-3-5-7-9-17-12-15-11-16(27)13-21(22(15)26(32)33-17)34-24-18(10-8-6-4-2)23(25(30)31)19(28)14-20(24)29/h11-14,27-29H,3-10H2,1-2H3,(H,30,31)/p-1