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2-methylideneicosanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid

2-methylideneicosanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid

Systemtic Name:2-methylideneicosanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid
Openeye Name:acrylic acid; 2-methyleneicosanoic acid; methyl 2-methylprop-2-enoate
CAS Name:2-methyleneeicosanoic acid; 2-methyl-2-propenoic acid methyl ester; 2-propenoic acid
IUPAC Name:2-methylideneicosanoic acid; methyl 2-methylprop-2-enoate; prop-2-enoic acid
Traditional Name:acrylic acid; 2-methylacrylic acid methyl ester; 2-stearylacrylic acid
Formula: C29H52O6
MolecularWeight: 496.71958
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=C)C(=O)O.CC(=C)C(=O)OC.C=CC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=C)C(=O)O.CC(=C)C(=O)OC.C=CC(=O)O


InChI

InChI=1S/C21H40O2.C5H8O2.C3H4O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21(22)23;1-4(2)5(6)7-3;1-2-3(4)5/h2-19H2,1H3,(H,22,23);1H2,2-3H3;2H,1H2,(H,4,5)


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