6-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]hexanoic acid

Systemtic Name: 6-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]hexanoic acid Openeye Name: 6-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-chromen-2-yl]hexanoic acid CAS Name: 6-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-1-benzopyran-2-yl]hexanoic acid IUPAC Name: 6-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromen-2-yl]hexanoic acid Traditional Name: 6-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-keto-8-propyl-chromen-2-yl]hexanoic acid Formula: C32H40O9 MolecularWeight: 568.6546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)CCCCCC(=O)O)CCC)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)CCCCCC(=O)O)CCC)O

InChI

InChI=1S/C32H40O9/c1-4-9-25-28(15-13-23(20(3)33)31(25)38)39-18-21(34)19-40-29-16-14-24-27(35)17-22(11-7-6-8-12-30(36)37)41-32(24)26(29)10-5-2/h13-17,21,34,38H,4-12,18-19H2,1-3H3,(H,36,37)