(2S)-2-(4-butoxyphenyl)butanedioate

Systemtic Name: (2S)-2-(4-butoxyphenyl)butanedioate Openeye Name: (2S)-2-(4-butoxyphenyl)butanedioate CAS Name: (2S)-2-(4-butoxyphenyl)butanedioate IUPAC Name: (2S)-2-(4-butoxyphenyl)butanedioate Traditional Name: (2S)-2-(4-butoxyphenyl)succinate Formula: C14H16O5-2 MolecularWeight: 264.27384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H18O5/c1-2-3-8-19-11-6-4-10(5-7-11)12(14(17)18)9-13(15)16/h4-7,12H,2-3,8-9H2,1H3,(H,15,16)(H,17,18)/p-2/t12-/m0/s1