2-chloranyl-3-(4-phenylmethoxybutyl)butanedioic acid

Systemtic Name: 2-chloranyl-3-(4-phenylmethoxybutyl)butanedioic acid Openeye Name: 2-(4-benzyloxybutyl)-3-chloro-butanedioic acid CAS Name: 2-chloro-3-(4-phenylmethoxybutyl)butanedioic acid IUPAC Name: 2-chloro-3-(4-phenylmethoxybutyl)butanedioic acid Traditional Name: 2-(4-benzoxybutyl)-3-chloro-succinic acid Formula: C15H19ClO5 MolecularWeight: 314.76136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCC(C(C(=O)O)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCCCCC(C(C(=O)O)Cl)C(=O)O

InChI

InChI=1S/C15H19ClO5/c16-13(15(19)20)12(14(17)18)8-4-5-9-21-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2,(H,17,18)(H,19,20)