(2S)-2-(4-hexoxyphenyl)butanedioate

Systemtic Name: (2S)-2-(4-hexoxyphenyl)butanedioate Openeye Name: (2S)-2-(4-hexoxyphenyl)butanedioate CAS Name: (2S)-2-(4-hexoxyphenyl)butanedioate IUPAC Name: (2S)-2-(4-hexoxyphenyl)butanedioate Traditional Name: (2S)-2-(4-hexoxyphenyl)succinate Formula: C16H20O5-2 MolecularWeight: 292.327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)[C@H](CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H22O5/c1-2-3-4-5-10-21-13-8-6-12(7-9-13)14(16(19)20)11-15(17)18/h6-9,14H,2-5,10-11H2,1H3,(H,17,18)(H,19,20)/p-2/t14-/m0/s1