ethanenitrile; hexane; methanol; methylbenzene; oxane

Systemtic Name: ethanenitrile; hexane; methanol; methylbenzene; oxane Openeye Name: acetonitrile; hexane; methanol; tetrahydropyran; toluene CAS Name: acetonitrile; hexane; methanol; oxane; toluene IUPAC Name: acetonitrile; hexane; methanol; oxane; toluene Traditional Name: acetonitrile; methanol; n-hexane; tetrahydropyran; toluene Formula: C26H49NO3 MolecularWeight: 423.67216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CC#N.CC1=CC=CC=C1.CO.C1CCOCC1.C1CCOCC1

Isomeric SMILES

CCCCCC.CC#N.CC1=CC=CC=C1.CO.C1CCOCC1.C1CCOCC1

InChI

InChI=1S/C7H8.C6H14.2C5H10O.C2H3N.CH4O/c1-7-5-3-2-4-6-7;1-3-5-6-4-2;2*1-2-4-6-5-3-1;1-2-3;1-2/h2-6H,1H3;3-6H2,1-2H3;2*1-5H2;1H3;2H,1H3