2-(2-ethylhexyl)-3-methylidene-2-(2-oxidanylidene-2-phenylmethoxy-ethyl)butanedioate

Systemtic Name: 2-(2-ethylhexyl)-3-methylidene-2-(2-oxidanylidene-2-phenylmethoxy-ethyl)butanedioate Openeye Name: 2-(2-benzyloxy-2-oxo-ethyl)-2-(2-ethylhexyl)-3-methylene-butanedioate CAS Name: 2-(2-ethylhexyl)-3-methylene-2-(2-oxo-2-phenylmethoxyethyl)butanedioate IUPAC Name: 2-(2-ethylhexyl)-3-methylidene-2-(2-oxo-2-phenylmethoxyethyl)butanedioate Traditional Name: 2-(2-benzoxy-2-keto-ethyl)-2-(2-ethylhexyl)-3-methylene-succinate Formula: C22H28O6-2 MolecularWeight: 388.45412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(=O)OCC1=CC=CC=C1)(C(=C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC(CC)CC(CC(=O)OCC1=CC=CC=C1)(C(=C)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H30O6/c1-4-6-10-17(5-2)13-22(21(26)27,16(3)20(24)25)14-19(23)28-15-18-11-8-7-9-12-18/h7-9,11-12,17H,3-6,10,13-15H2,1-2H3,(H,24,25)(H,26,27)/p-2