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heptan-2-yl heptanoate dihydrate

heptan-2-yl heptanoate dihydrate

Systemtic Name:heptan-2-yl heptanoate dihydrate
Openeye Name:1-methylhexyl heptanoate dihydrate
CAS Name:heptanoic acid heptan-2-yl ester dihydrate
IUPAC Name:heptan-2-yl heptanoate dihydrate
Traditional Name:enanthic acid 1-methylhexyl ester dihydrate
Formula: C14H32O4
MolecularWeight: 264.40148
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC(C)CCCCC.O.O


Isomeric SMILES

CCCCCCC(=O)OC(C)CCCCC.O.O


InChI

InChI=1S/C14H28O2.2H2O/c1-4-6-8-10-12-14(15)16-13(3)11-9-7-5-2;;/h13H,4-12H2,1-3H3;2*1H2


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