(2R,3S)-4-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: (2R,3S)-4-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: (2R,3S)-4-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dimethyl-4-oxo-butanoic acid CAS Name: (2R,3S)-4-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dimethyl-4-oxobutanoic acid IUPAC Name: (2R,3S)-4-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dimethyl-4-oxobutanoic acid Traditional Name: (2R,3S)-4-keto-4-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dimethyl-butyric acid Formula: C14H16O6 MolecularWeight: 280.27324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)C(=O)O)C(=O)C1=CC2=C(C(=C1)OC)OCO2

Isomeric SMILES

C[C@@H]([C@@H](C)C(=O)O)C(=O)C1=CC2=C(C(=C1)OC)OCO2

InChI

InChI=1S/C14H16O6/c1-7(8(2)14(16)17)12(15)9-4-10(18-3)13-11(5-9)19-6-20-13/h4-5,7-8H,6H2,1-3H3,(H,16,17)/t7-,8+/m0/s1