5-[(2S)-butan-2-yl]-4-oxidanyl-benzene-1,3-dicarboxylate

Systemtic Name: 5-[(2S)-butan-2-yl]-4-oxidanyl-benzene-1,3-dicarboxylate Openeye Name: 4-hydroxy-5-[(1S)-1-methylpropyl]benzene-1,3-dicarboxylate CAS Name: 5-[(2S)-butan-2-yl]-4-hydroxybenzene-1,3-dicarboxylate IUPAC Name: 5-[(2S)-butan-2-yl]-4-hydroxybenzene-1,3-dicarboxylate Traditional Name: 4-hydroxy-5-[(1S)-1-methylpropyl]isophthalate Formula: C12H12O5-2 MolecularWeight: 236.22068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1O)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC(=CC(=C1O)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H14O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3,(H,14,15)(H,16,17)/p-2/t6-/m0/s1