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

Systemtic Name: 3-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-6-propyl-chromen-2-yl]propanoic acid Openeye Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-6-propyl-chromen-2-yl]propanoic acid CAS Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-6-propyl-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-6-propylchromen-2-yl]propanoic acid Traditional Name: 3-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-keto-6-propyl-chromen-2-yl]propionic acid Formula: C29H34O9 MolecularWeight: 526.57486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C=C(O2)CCC(=O)O)OCC(COC3=C(C(=C(C=C3)C(=O)C)O)CCC)O

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C=C(O2)CCC(=O)O)OCC(COC3=C(C(=C(C=C3)C(=O)C)O)CCC)O

InChI

InChI=1S/C29H34O9/c1-4-6-18-12-23-24(32)13-20(8-11-28(33)34)38-27(23)14-26(18)37-16-19(31)15-36-25-10-9-21(17(3)30)29(35)22(25)7-5-2/h9-10,12-14,19,31,35H,4-8,11,15-16H2,1-3H3,(H,33,34)