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

Systemtic Name: 3-[7-[3-(2-butyl-4-ethanoyl-3-oxidanyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-chromen-2-yl]propanoic acid Openeye Name: 3-[7-[3-(4-acetyl-2-butyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-chromen-2-yl]propanoic acid CAS Name: 3-[7-[3-(4-acetyl-2-butyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[7-[3-(4-acetyl-2-butyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromen-2-yl]propanoic acid Traditional Name: 3-[7-[3-(4-acetyl-2-butyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-4-keto-8-propyl-chromen-2-yl]propionic acid Formula: C30H36O9 MolecularWeight: 540.60144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)CCC(=O)O)CCC)O

Isomeric SMILES

CCCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(O3)CCC(=O)O)CCC)O

InChI

InChI=1S/C30H36O9/c1-4-6-8-23-26(12-10-21(18(3)31)29(23)36)37-16-19(32)17-38-27-13-11-22-25(33)15-20(9-14-28(34)35)39-30(22)24(27)7-5-2/h10-13,15,19,32,36H,4-9,14,16-17H2,1-3H3,(H,34,35)