butyl prop-2-enoate; 4-ethyl-2-methylidene-octanoic acid; prop-2-enoic acid

Systemtic Name: butyl prop-2-enoate; 4-ethyl-2-methylidene-octanoic acid; prop-2-enoic acid Openeye Name: acrylic acid; butyl prop-2-enoate; 4-ethyl-2-methylene-octanoic acid CAS Name: 4-ethyl-2-methyleneoctanoic acid; 2-propenoic acid; 2-propenoic acid butyl ester IUPAC Name: butyl prop-2-enoate; 4-ethyl-2-methylideneoctanoic acid; prop-2-enoic acid Traditional Name: acrylic acid; acrylic acid butyl ester; 2-(2-ethylhexyl)acrylic acid Formula: C21H36O6 MolecularWeight: 384.50694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(=C)C(=O)O.CCCCOC(=O)C=C.C=CC(=O)O

Isomeric SMILES

CCCCC(CC)CC(=C)C(=O)O.CCCCOC(=O)C=C.C=CC(=O)O

InChI

InChI=1S/C11H20O2.C7H12O2.C3H4O2/c1-4-6-7-10(5-2)8-9(3)11(12)13;1-3-5-6-9-7(8)4-2;1-2-3(4)5/h10H,3-8H2,1-2H3,(H,12,13);4H,2-3,5-6H2,1H3;2H,1H2,(H,4,5)