2-methyl-5-oxidanyl-7-pentyl-2,3-dihydrochromen-4-one; propanoic acid

Systemtic Name: 2-methyl-5-oxidanyl-7-pentyl-2,3-dihydrochromen-4-one; propanoic acid Openeye Name: 5-hydroxy-2-methyl-7-pentyl-chroman-4-one; propionic acid CAS Name: 5-hydroxy-2-methyl-7-pentyl-3,4-dihydro-2H-1-benzopyran-4-one; propanoic acid IUPAC Name: 5-hydroxy-2-methyl-7-pentyl-2,3-dihydrochromen-4-one; propanoic acid Traditional Name: 7-amyl-5-hydroxy-2-methyl-chroman-4-one; propionic acid Formula: C18H26O5 MolecularWeight: 322.39604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C(=O)CC(O2)C)C(=C1)O.CCC(=O)O

Isomeric SMILES

CCCCCC1=CC2=C(C(=O)CC(O2)C)C(=C1)O.CCC(=O)O

InChI

InChI=1S/C15H20O3.C3H6O2/c1-3-4-5-6-11-8-13(17)15-12(16)7-10(2)18-14(15)9-11;1-2-3(4)5/h8-10,17H,3-7H2,1-2H3;2H2,1H3,(H,4,5)