3-[4-[5-(5-methyl-2-oxidanyl-1-phenyl-heptan-3-yl)-6-oxidanyl-4-oxidanylidene-pyran-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[5-(5-methyl-2-oxidanyl-1-phenyl-heptan-3-yl)-6-oxidanyl-4-oxidanylidene-pyran-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[6-hydroxy-5-[1-(1-hydroxy-2-phenyl-ethyl)-3-methyl-pentyl]-4-oxo-pyran-2-yl]phenyl]propanoic acid CAS Name: 3-[4-[6-hydroxy-5-(2-hydroxy-5-methyl-1-phenylheptan-3-yl)-4-oxo-2-pyranyl]phenyl]propanoic acid IUPAC Name: 3-[4-[6-hydroxy-5-(2-hydroxy-5-methyl-1-phenylheptan-3-yl)-4-oxopyran-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[6-hydroxy-5-[1-(1-hydroxy-2-phenyl-ethyl)-3-methyl-pentyl]-4-keto-pyran-2-yl]phenyl]propionic acid Formula: C28H32O6 MolecularWeight: 464.55008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C1=C(OC(=CC1=O)C2=CC=C(C=C2)CCC(=O)O)O)C(CC3=CC=CC=C3)O

Isomeric SMILES

CCC(C)CC(C1=C(OC(=CC1=O)C2=CC=C(C=C2)CCC(=O)O)O)C(CC3=CC=CC=C3)O

InChI

InChI=1S/C28H32O6/c1-3-18(2)15-22(23(29)16-20-7-5-4-6-8-20)27-24(30)17-25(34-28(27)33)21-12-9-19(10-13-21)11-14-26(31)32/h4-10,12-13,17-18,22-23,29,33H,3,11,14-16H2,1-2H3,(H,31,32)