4-butylbenzene-1,2,3-tricarboxylic acid

Systemtic Name: 4-butylbenzene-1,2,3-tricarboxylic acid Openeye Name: 4-butylbenzene-1,2,3-tricarboxylic acid CAS Name: 4-butylbenzene-1,2,3-tricarboxylic acid IUPAC Name: 4-butylbenzene-1,2,3-tricarboxylic acid Traditional Name: 4-butylhemimellitic acid Formula: C13H14O6 MolecularWeight: 266.24666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C13H14O6/c1-2-3-4-7-5-6-8(11(14)15)10(13(18)19)9(7)12(16)17/h5-6H,2-4H2,1H3,(H,14,15)(H,16,17)(H,18,19)