ethanenitrile; (Z)-4-oxidanylpent-3-en-2-one; technetium; perchlorate

Systemtic Name: ethanenitrile; (Z)-4-oxidanylpent-3-en-2-one; technetium; perchlorate Openeye Name: acetonitrile; (Z)-4-hydroxypent-3-en-2-one; technetium; perchlorate CAS Name: acetonitrile; (Z)-4-hydroxy-3-penten-2-one; technetium; perchlorate IUPAC Name: acetonitrile; (Z)-4-hydroxypent-3-en-2-one; technetium; perchlorate Traditional Name: acetonitrile; (Z)-4-hydroxypent-3-en-2-one; technetium; perchlorate Formula: C14H22ClN2O8Tc- MolecularWeight: 479.693296

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[O-]Cl(=O)(=O)=O.[Tc]

Isomeric SMILES

CC#N.CC#N.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[O-]Cl(=O)(=O)=O.[Tc]

InChI

InChI=1S/2C5H8O2.2C2H3N.ClHO4.Tc/c2*1-4(6)3-5(2)7;2*1-2-3;2-1(3,4)5;/h2*3,6H,1-2H3;2*1H3;(H,2,3,4,5);/p-1/b2*4-3-;;;;