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heptanoic acid; hexanoate; 5-methylhexanoic acid

heptanoic acid; hexanoate; 5-methylhexanoic acid

Systemtic Name:heptanoic acid; hexanoate; 5-methylhexanoic acid
Openeye Name:heptanoic acid; hexanoate; 5-methylhexanoic acid
CAS Name:heptanoic acid; hexanoate; 5-methylhexanoic acid
IUPAC Name:heptanoic acid; hexanoate; 5-methylhexanoic acid
Traditional Name:enanthic acid; hexanoate; 5-methylhexanoic acid
Formula: C20H39O6-
MolecularWeight: 375.52006
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)O.CCCCCC(=O)[O-].CC(C)CCCC(=O)O


Isomeric SMILES

CCCCCCC(=O)O.CCCCCC(=O)[O-].CC(C)CCCC(=O)O


InChI

InChI=1S/2C7H14O2.C6H12O2/c1-6(2)4-3-5-7(8)9;1-2-3-4-5-6-7(8)9;1-2-3-4-5-6(7)8/h6H,3-5H2,1-2H3,(H,8,9);2-6H2,1H3,(H,8,9);2-5H2,1H3,(H,7,8)/p-1


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