2-(2-ethylhexyl)-3-methylidene-butanedioic acid

Systemtic Name: 2-(2-ethylhexyl)-3-methylidene-butanedioic acid Openeye Name: 2-(2-ethylhexyl)-3-methylene-butanedioic acid CAS Name: 2-(2-ethylhexyl)-3-methylenebutanedioic acid IUPAC Name: 2-(2-ethylhexyl)-3-methylidenebutanedioic acid Traditional Name: 2-(2-ethylhexyl)-3-methylene-succinic acid Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C(=C)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC)CC(C(=C)C(=O)O)C(=O)O

InChI

InChI=1S/C13H22O4/c1-4-6-7-10(5-2)8-11(13(16)17)9(3)12(14)15/h10-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)