sodium; 2-(2-azanylethylamino)ethanol; but-3-en-2-one; heptanoate

Systemtic Name: sodium; 2-(2-azanylethylamino)ethanol; but-3-en-2-one; heptanoate Openeye Name: sodium; 2-(2-aminoethylamino)ethanol; but-3-en-2-one; heptanoate CAS Name: sodium; 2-(2-aminoethylamino)ethanol; 3-buten-2-one; heptanoate IUPAC Name: sodium; 2-(2-aminoethylamino)ethanol; but-3-en-2-one; heptanoate Traditional Name: sodium; 2-(2-aminoethylamino)ethanol; but-3-en-2-one; enanthate Formula: C15H31N2NaO4 MolecularWeight: 326.40741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)[O-].CC(=O)C=C.C(CNCCO)N.[Na+]

Isomeric SMILES

CCCCCCC(=O)[O-].CC(=O)C=C.C(CNCCO)N.[Na+]

InChI

InChI=1S/C7H14O2.C4H12N2O.C4H6O.Na/c1-2-3-4-5-6-7(8)9;5-1-2-6-3-4-7;1-3-4(2)5;/h2-6H2,1H3,(H,8,9);6-7H,1-5H2;3H,1H2,2H3;/q;;;+1/p-1