5-butan-2-yl-4-oxidanyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 5-butan-2-yl-4-oxidanyl-benzene-1,3-dicarboxylic acid Openeye Name: 4-hydroxy-5-sec-butyl-benzene-1,3-dicarboxylic acid CAS Name: 5-butan-2-yl-4-hydroxybenzene-1,3-dicarboxylic acid IUPAC Name: 5-butan-2-yl-4-hydroxybenzene-1,3-dicarboxylic acid Traditional Name: 4-hydroxy-5-sec-butyl-isophthalic acid Formula: C12H14O5 MolecularWeight: 238.23656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1O)C(=O)O)C(=O)O

Isomeric SMILES

CCC(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)