5-propylbenzene-1,3-dicarboxylic acid

Systemtic Name: 5-propylbenzene-1,3-dicarboxylic acid Openeye Name: 5-propylbenzene-1,3-dicarboxylic acid CAS Name: 5-propylbenzene-1,3-dicarboxylic acid IUPAC Name: 5-propylbenzene-1,3-dicarboxylic acid Traditional Name: 5-propylisophthalic acid Formula: C11H12O4 MolecularWeight: 208.21058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C11H12O4/c1-2-3-7-4-8(10(12)13)6-9(5-7)11(14)15/h4-6H,2-3H2,1H3,(H,12,13)(H,14,15)