3-[2,2-dimethyl-5-oxidanyl-4-oxidanylidene-7-(5-phenylpentan-2-yloxy)-3H-chromen-3-yl]propanoic acid

Systemtic Name: 3-[2,2-dimethyl-5-oxidanyl-4-oxidanylidene-7-(5-phenylpentan-2-yloxy)-3H-chromen-3-yl]propanoic acid Openeye Name: 3-[5-hydroxy-2,2-dimethyl-7-(1-methyl-4-phenyl-butoxy)-4-oxo-chroman-3-yl]propanoic acid CAS Name: 3-[5-hydroxy-2,2-dimethyl-4-oxo-7-(5-phenylpentan-2-yloxy)-3,4-dihydro-2H-1-benzopyran-3-yl]propanoic acid IUPAC Name: 3-[5-hydroxy-2,2-dimethyl-4-oxo-7-(5-phenylpentan-2-yloxy)-3H-chromen-3-yl]propanoic acid Traditional Name: 3-[5-hydroxy-4-keto-2,2-dimethyl-7-(1-methyl-4-phenyl-butoxy)chroman-3-yl]propionic acid Formula: C25H30O6 MolecularWeight: 426.5021

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)OC2=CC(=C3C(=C2)OC(C(C3=O)CCC(=O)O)(C)C)O

Isomeric SMILES

CC(CCCC1=CC=CC=C1)OC2=CC(=C3C(=C2)OC(C(C3=O)CCC(=O)O)(C)C)O

InChI

InChI=1S/C25H30O6/c1-16(8-7-11-17-9-5-4-6-10-17)30-18-14-20(26)23-21(15-18)31-25(2,3)19(24(23)29)12-13-22(27)28/h4-6,9-10,14-16,19,26H,7-8,11-13H2,1-3H3,(H,27,28)