N,N-diethylethanamine; 2-methylidenehexanoic acid; methyl 2-methylprop-2-enoate; 2-oxidanylpropyl 2-methylprop-2-enoate; prop-2-enoic acid

Systemtic Name: N,N-diethylethanamine; 2-methylidenehexanoic acid; methyl 2-methylprop-2-enoate; 2-oxidanylpropyl 2-methylprop-2-enoate; prop-2-enoic acid Openeye Name: acrylic acid; N,N-diethylethanamine; 2-hydroxypropyl 2-methylprop-2-enoate; 2-methylenehexanoic acid; methyl 2-methylprop-2-enoate CAS Name: N,N-diethylethanamine; 2-methylenehexanoic acid; 2-methyl-2-propenoic acid 2-hydroxypropyl ester; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid IUPAC Name: N,N-diethylethanamine; 2-hydroxypropyl 2-methylprop-2-enoate; 2-methylidenehexanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid Traditional Name: acrylic acid; 2-butylacrylic acid; 2-methylacrylic acid 2-hydroxypropyl ester; 2-methylacrylic acid methyl ester; triethylamine Formula: C28H51NO9 MolecularWeight: 545.70584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C(=O)O.CCN(CC)CC.CC(COC(=O)C(=C)C)O.CC(=C)C(=O)OC.C=CC(=O)O

Isomeric SMILES

CCCCC(=C)C(=O)O.CCN(CC)CC.CC(COC(=O)C(=C)C)O.CC(=C)C(=O)OC.C=CC(=O)O

InChI

InChI=1S/C7H12O3.C7H12O2.C6H15N.C5H8O2.C3H4O2/c1-5(2)7(9)10-4-6(3)8;1-3-4-5-6(2)7(8)9;1-4-7(5-2)6-3;1-4(2)5(6)7-3;1-2-3(4)5/h6,8H,1,4H2,2-3H3;2-5H2,1H3,(H,8,9);4-6H2,1-3H3;1H2,2-3H3;2H,1H2,(H,4,5)