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heptan-2-one; 4-methylnon-1-yn-4-ol

heptan-2-one; 4-methylnon-1-yn-4-ol

Systemtic Name:heptan-2-one; 4-methylnon-1-yn-4-ol
Openeye Name:heptan-2-one; 4-methylnon-1-yn-4-ol
CAS Name:2-heptanone; 4-methyl-1-nonyn-4-ol
IUPAC Name:heptan-2-one; 4-methylnon-1-yn-4-ol
Traditional Name:heptan-2-one; 4-methylnon-1-yn-4-ol
Formula: C17H32O2
MolecularWeight: 268.43478
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C.CCCCCC(C)(CC#C)O


Isomeric SMILES

CCCCCC(=O)C.CCCCCC(C)(CC#C)O


InChI

InChI=1S/C10H18O.C7H14O/c1-4-6-7-9-10(3,11)8-5-2;1-3-4-5-6-7(2)8/h2,11H,4,6-9H2,1,3H3;3-6H2,1-2H3


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