dodecyl (E)-2-methylidene-5-phenyl-pent-4-enoate; 1-ethenylpyridin-1-ium; ethanoate

Systemtic Name: dodecyl (E)-2-methylidene-5-phenyl-pent-4-enoate; 1-ethenylpyridin-1-ium; ethanoate Openeye Name: dodecyl (E)-2-methylene-5-phenyl-pent-4-enoate; 1-vinylpyridin-1-ium; acetate CAS Name: 1-ethenylpyridin-1-ium; (E)-2-methylene-5-phenyl-4-pentenoic acid dodecyl ester; acetate IUPAC Name: dodecyl (E)-2-methylidene-5-phenylpent-4-enoate; 1-ethenylpyridin-1-ium; acetate Traditional Name: (E)-2-methylene-5-phenyl-pent-4-enoic acid lauryl ester; 1-vinylpyridin-1-ium; acetate Formula: C33H47NO4 MolecularWeight: 521.73058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(=C)CC=CC1=CC=CC=C1.CC(=O)[O-].C=C[N+]1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(=C)C/C=C/C1=CC=CC=C1.CC(=O)[O-].C=C[N+]1=CC=CC=C1

InChI

InChI=1S/C24H36O2.C7H8N.C2H4O2/c1-3-4-5-6-7-8-9-10-11-15-21-26-24(25)22(2)17-16-20-23-18-13-12-14-19-23;1-2-8-6-4-3-5-7-8;1-2(3)4/h12-14,16,18-20H,2-11,15,17,21H2,1H3;2-7H,1H2;1H3,(H,3,4)/q;+1;/p-1/b20-16+;;