(3R)-3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxidanylidene-butanoate

Systemtic Name: (3R)-3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxidanylidene-butanoate Openeye Name: (3R)-3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxo-butanoate CAS Name: (3R)-3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxobutanoate IUPAC Name: (3R)-3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxobutanoate Traditional Name: (3R)-4-keto-4-methoxy-3-piperonyl-butyrate Formula: C13H13O6- MolecularWeight: 265.23872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1)OCO2)CC(=O)[O-]

Isomeric SMILES

COC(=O)[C@H](CC1=CC2=C(C=C1)OCO2)CC(=O)[O-]

InChI

InChI=1S/C13H14O6/c1-17-13(16)9(6-12(14)15)4-8-2-3-10-11(5-8)19-7-18-10/h2-3,5,9H,4,6-7H2,1H3,(H,14,15)/p-1/t9-/m1/s1