(2R)-2-[(4-butoxyphenyl)methyl]butanedioate

Systemtic Name: (2R)-2-[(4-butoxyphenyl)methyl]butanedioate Openeye Name: (2R)-2-[(4-butoxyphenyl)methyl]butanedioate CAS Name: (2R)-2-[(4-butoxyphenyl)methyl]butanedioate IUPAC Name: (2R)-2-[(4-butoxyphenyl)methyl]butanedioate Traditional Name: (2R)-2-(4-butoxybenzyl)succinate Formula: C15H18O5-2 MolecularWeight: 278.30042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O5/c1-2-3-8-20-13-6-4-11(5-7-13)9-12(15(18)19)10-14(16)17/h4-7,12H,2-3,8-10H2,1H3,(H,16,17)(H,18,19)/p-2/t12-/m1/s1