2-ethyl-3-methylidene-2-(2-oxidanylidene-3-phenyl-butyl)butanedioic acid

Systemtic Name: 2-ethyl-3-methylidene-2-(2-oxidanylidene-3-phenyl-butyl)butanedioic acid Openeye Name: 2-ethyl-3-methylene-2-(2-oxo-3-phenyl-butyl)butanedioic acid CAS Name: 2-ethyl-3-methylene-2-(2-oxo-3-phenylbutyl)butanedioic acid IUPAC Name: 2-ethyl-3-methylidene-2-(2-oxo-3-phenylbutyl)butanedioic acid Traditional Name: 2-ethyl-2-(2-keto-3-phenyl-butyl)-3-methylene-succinic acid Formula: C17H20O5 MolecularWeight: 304.3377

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)C(C)C1=CC=CC=C1)(C(=C)C(=O)O)C(=O)O

Isomeric SMILES

CCC(CC(=O)C(C)C1=CC=CC=C1)(C(=C)C(=O)O)C(=O)O

InChI

InChI=1S/C17H20O5/c1-4-17(16(21)22,12(3)15(19)20)10-14(18)11(2)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,19,20)(H,21,22)