(2E,4E,6E)-5-cyano-2-methyl-nona-2,4,6,8-tetraenoate; prop-2-enenitrile

Systemtic Name: (2E,4E,6E)-5-cyano-2-methyl-nona-2,4,6,8-tetraenoate; prop-2-enenitrile Openeye Name: (2E,4E,6E)-5-cyano-2-methyl-nona-2,4,6,8-tetraenoate; prop-2-enenitrile CAS Name: (2E,4E,6E)-5-cyano-2-methylnona-2,4,6,8-tetraenoate; 2-propenenitrile IUPAC Name: (2E,4E,6E)-5-cyano-2-methylnona-2,4,6,8-tetraenoate; prop-2-enenitrile Traditional Name: acrylonitrile; (2E,4E,6E)-5-cyano-2-methyl-nona-2,4,6,8-tetraenoate Formula: C14H13N2O2- MolecularWeight: 241.26522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2.C3H3N/c1-3-4-5-10(8-12)7-6-9(2)11(13)14;1-2-3-4/h3-7H,1H2,2H3,(H,13,14);2H,1H2/p-1/b5-4+,9-6+,10-7+;