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4-azanylbutane-1,3-diol; hexanoate

4-azanylbutane-1,3-diol; hexanoate

Systemtic Name:4-azanylbutane-1,3-diol; hexanoate
Openeye Name:4-aminobutane-1,3-diol; hexanoate
CAS Name:4-aminobutane-1,3-diol; hexanoate
IUPAC Name:4-aminobutane-1,3-diol; hexanoate
Traditional Name:4-aminobutane-1,3-diol; hexanoate
Formula: C10H22NO4-
MolecularWeight: 220.28598
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)[O-].C(CO)C(CN)O


Isomeric SMILES

CCCCCC(=O)[O-].C(CO)C(CN)O


InChI

InChI=1S/C6H12O2.C4H11NO2/c1-2-3-4-5-6(7)8;5-3-4(7)1-2-6/h2-5H2,1H3,(H,7,8);4,6-7H,1-3,5H2/p-1


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