4-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-2-methyl-4-oxidanylidene-8-propyl-3H-chromen-2-yl]-2-oxidanyl-butanoic acid

Systemtic Name: 4-[7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-2-methyl-4-oxidanylidene-8-propyl-3H-chromen-2-yl]-2-oxidanyl-butanoic acid Openeye Name: 4-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-2-methyl-4-oxo-8-propyl-chroman-2-yl]-2-hydroxy-butanoic acid CAS Name: 4-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-methyl-4-oxo-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxybutanoic acid IUPAC Name: 4-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-methyl-4-oxo-8-propyl-3H-chromen-2-yl]-2-hydroxybutanoic acid Traditional Name: 4-[7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-keto-2-methyl-8-propyl-chroman-2-yl]-2-hydroxy-butyric acid Formula: C31H40O9 MolecularWeight: 556.6439

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(C=C2)C(=O)CC(O3)(C)CCC(C(=O)O)O)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(C=C2)C(=O)CC(O3)(C)CCC(C(=O)O)O)CCC

InChI

InChI=1S/C31H40O9/c1-5-8-22-26(12-10-20(19(3)32)28(22)35)38-16-7-17-39-27-13-11-21-25(34)18-31(4,15-14-24(33)30(36)37)40-29(21)23(27)9-6-2/h10-13,24,33,35H,5-9,14-18H2,1-4H3,(H,36,37)