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ethanenitrile; methanol; icosahydrate

Systemtic Name:	ethanenitrile; methanol; icosahydrate
Openeye Name:	acetonitrile; methanol; icosahydrate
CAS Name:	acetonitrile; methanol; eicosahydrate
IUPAC Name:	acetonitrile; methanol; icosahydrate
Traditional Name:	acetonitrile; methanol; eicosahydrate
Formula:	C₁₂₀H₃₂₀N₄₀O₆₀
MolecularWeight:	3284.0568

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O

Isomeric SMILES

InChI

InChI=1S/40C2H3N.40CH4O.20H2O/c40*1-2-3;40*1-2;;;;;;;;;;;;;;;;;;;;/h40*1H3;40*2H,1H3;20*1H2

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