2-(2-ethylhexyl)-3-methylidene-2-(2-oxidanylidene-3-phenyl-propyl)butanedioate

Systemtic Name: 2-(2-ethylhexyl)-3-methylidene-2-(2-oxidanylidene-3-phenyl-propyl)butanedioate Openeye Name: 2-(2-ethylhexyl)-3-methylene-2-(2-oxo-3-phenyl-propyl)butanedioate CAS Name: 2-(2-ethylhexyl)-3-methylene-2-(2-oxo-3-phenylpropyl)butanedioate IUPAC Name: 2-(2-ethylhexyl)-3-methylidene-2-(2-oxo-3-phenylpropyl)butanedioate Traditional Name: 2-(2-ethylhexyl)-2-(2-keto-3-phenyl-propyl)-3-methylene-succinate Formula: C22H28O5-2 MolecularWeight: 372.45472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(=O)CC1=CC=CC=C1)(C(=C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC(CC)CC(CC(=O)CC1=CC=CC=C1)(C(=C)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H30O5/c1-4-6-10-17(5-2)14-22(21(26)27,16(3)20(24)25)15-19(23)13-18-11-8-7-9-12-18/h7-9,11-12,17H,3-6,10,13-15H2,1-2H3,(H,24,25)(H,26,27)/p-2