dibutyl (E)-but-2-enedioate; 4-ethyl-2-methylidene-octanoic acid

Systemtic Name: dibutyl (E)-but-2-enedioate; 4-ethyl-2-methylidene-octanoic acid Openeye Name: dibutyl (E)-but-2-enedioate; 4-ethyl-2-methylene-octanoic acid CAS Name: (E)-2-butenedioic acid dibutyl ester; 4-ethyl-2-methyleneoctanoic acid IUPAC Name: dibutyl (E)-but-2-enedioate; 4-ethyl-2-methylideneoctanoic acid Traditional Name: (E)-but-2-enedioic acid dibutyl ester; 2-(2-ethylhexyl)acrylic acid Formula: C23H40O6 MolecularWeight: 412.5601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O4.C11H20O2/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2;1-4-6-7-10(5-2)8-9(3)11(12)13/h7-8H,3-6,9-10H2,1-2H3;10H,3-8H2,1-2H3,(H,12,13)/b8-7+;