(2S)-2-(furan-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-(furan-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-tert-butoxy-2-(2-furylmethyl)-4-oxo-butanoic acid CAS Name: (2S)-2-(2-furanylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid IUPAC Name: (2S)-2-(furan-2-ylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid Traditional Name: (2S)-4-tert-butoxy-2-(2-furfuryl)-4-keto-butyric acid Formula: C13H18O5 MolecularWeight: 254.27902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CC1=CC=CO1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C[C@H](CC1=CC=CO1)C(=O)O

InChI

InChI=1S/C13H18O5/c1-13(2,3)18-11(14)8-9(12(15)16)7-10-5-4-6-17-10/h4-6,9H,7-8H2,1-3H3,(H,15,16)/t9-/m0/s1