but-3-enenitrile; dodecanedinitrile; (E)-pent-3-enenitrile; pent-4-enenitrile

Systemtic Name: but-3-enenitrile; dodecanedinitrile; (E)-pent-3-enenitrile; pent-4-enenitrile Openeye Name: but-3-enenitrile; dodecanedinitrile; (E)-pent-3-enenitrile; pent-4-enenitrile CAS Name: 3-butenenitrile; dodecanedinitrile; (E)-3-pentenenitrile; 4-pentenenitrile IUPAC Name: but-3-enenitrile; dodecanedinitrile; (E)-pent-3-enenitrile; pent-4-enenitrile Traditional Name: but-3-enenitrile; dodecanedinitrile; (E)-pent-3-enenitrile; pent-4-enenitrile Formula: C26H39N5 MolecularWeight: 421.62136

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC#N.C=CCCC#N.C=CCC#N.C(CCCCCC#N)CCCCC#N

Isomeric SMILES

C/C=C/CC#N.C=CCCC#N.C=CCC#N.C(CCCCCC#N)CCCCC#N

InChI

InChI=1S/C12H20N2.2C5H7N.C4H5N/c13-11-9-7-5-3-1-2-4-6-8-10-12-14;2*1-2-3-4-5-6;1-2-3-4-5/h1-10H2;2-3H,4H2,1H3;2H,1,3-4H2;2H,1,3H2/b;3-2+;;