2-[2-(2-ethylhexoxy)-2-oxidanylidene-ethyl]-3-methylidene-2-phenyl-butanedioate

Systemtic Name: 2-[2-(2-ethylhexoxy)-2-oxidanylidene-ethyl]-3-methylidene-2-phenyl-butanedioate Openeye Name: 2-[2-(2-ethylhexoxy)-2-oxo-ethyl]-3-methylene-2-phenyl-butanedioate CAS Name: 2-[2-(2-ethylhexoxy)-2-oxoethyl]-3-methylene-2-phenylbutanedioate IUPAC Name: 2-[2-(2-ethylhexoxy)-2-oxoethyl]-3-methylidene-2-phenylbutanedioate Traditional Name: 2-[2-(2-ethylhexoxy)-2-keto-ethyl]-3-methylene-2-phenyl-succinate Formula: C21H26O6-2 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O6/c1-4-6-10-16(5-2)14-27-18(22)13-21(20(25)26,15(3)19(23)24)17-11-8-7-9-12-17/h7-9,11-12,16H,3-6,10,13-14H2,1-2H3,(H,23,24)(H,25,26)/p-2