N,N-diethylethanamine; octadecyl 2-methylprop-2-enoate; prop-2-enoic acid

Systemtic Name: N,N-diethylethanamine; octadecyl 2-methylprop-2-enoate; prop-2-enoic acid Openeye Name: acrylic acid; N,N-diethylethanamine; octadecyl 2-methylprop-2-enoate CAS Name: N,N-diethylethanamine; 2-methyl-2-propenoic acid octadecyl ester; 2-propenoic acid IUPAC Name: N,N-diethylethanamine; octadecyl 2-methylprop-2-enoate; prop-2-enoic acid Traditional Name: acrylic acid; 2-methylacrylic acid stearyl ester; triethylamine Formula: C31H61NO4 MolecularWeight: 511.82034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C.CCN(CC)CC.C=CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C.CCN(CC)CC.C=CC(=O)O

InChI

InChI=1S/C22H42O2.C6H15N.C3H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3;1-4-7(5-2)6-3;1-2-3(4)5/h2,4-20H2,1,3H3;4-6H2,1-3H3;2H,1H2,(H,4,5)