azanium; octadecyl 2-methylprop-2-enoate; prop-2-enoate

Systemtic Name: azanium; octadecyl 2-methylprop-2-enoate; prop-2-enoate Openeye Name: ammonium; octadecyl 2-methylprop-2-enoate; prop-2-enoate CAS Name: ammonium; 2-methyl-2-propenoic acid octadecyl ester; 2-propenoate IUPAC Name: azanium; octadecyl 2-methylprop-2-enoate; prop-2-enoate Traditional Name: ammonium; acrylate; 2-methylacrylic acid stearyl ester Formula: C25H49NO4 MolecularWeight: 427.66086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C.C=CC(=O)[O-].[NH4+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C.C=CC(=O)[O-].[NH4+]

InChI

InChI=1S/C22H42O2.C3H4O2.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3;1-2-3(4)5;/h2,4-20H2,1,3H3;2H,1H2,(H,4,5);1H3