(3S)-3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxo-butanoic acid CAS Name: (3S)-3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxobutanoic acid IUPAC Name: (3S)-3-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-4-oxobutanoic acid Traditional Name: (3S)-4-keto-4-methoxy-3-piperonyl-butyric acid Formula: C13H14O6 MolecularWeight: 266.24666

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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)/t9-/m0/s1