7-methyl-1-(2H-pyran-6-yloxy)oct-1-yn-4-ol; pentanal

Systemtic Name: 7-methyl-1-(2H-pyran-6-yloxy)oct-1-yn-4-ol; pentanal Openeye Name: 7-methyl-1-(2H-pyran-6-yloxy)oct-1-yn-4-ol; pentanal CAS Name: 7-methyl-1-(2H-pyran-6-yloxy)-1-octyn-4-ol; pentanal IUPAC Name: 7-methyl-1-(2H-pyran-6-yloxy)oct-1-yn-4-ol; pentanal Traditional Name: 7-methyl-1-(2H-pyran-6-yloxy)oct-1-yn-4-ol; valeraldehyde Formula: C19H30O4 MolecularWeight: 322.4391

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=O.CC(C)CCC(CC#COC1=CC=CCO1)O

Isomeric SMILES

CCCCC=O.CC(C)CCC(CC#COC1=CC=CCO1)O

InChI

InChI=1S/C14H20O3.C5H10O/c1-12(2)8-9-13(15)6-5-11-17-14-7-3-4-10-16-14;1-2-3-4-5-6/h3-4,7,12-13,15H,6,8-10H2,1-2H3;5H,2-4H2,1H3