diethyl (2R,3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-butanedioate

Systemtic Name: diethyl (2R,3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-butanedioate Openeye Name: diethyl (2R,3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-butanedioate CAS Name: (2R,3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxybutanedioic acid diethyl ester IUPAC Name: diethyl (2R,3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxybutanedioate Traditional Name: (2S,3R)-2-hydroxy-3-piperonyl-succinic acid diethyl ester Formula: C16H20O7 MolecularWeight: 324.3258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(C=C1)OCO2)C(C(=O)OCC)O

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC2=C(C=C1)OCO2)[C@@H](C(=O)OCC)O

InChI

InChI=1S/C16H20O7/c1-3-20-15(18)11(14(17)16(19)21-4-2)7-10-5-6-12-13(8-10)23-9-22-12/h5-6,8,11,14,17H,3-4,7,9H2,1-2H3/t11-,14+/m1/s1