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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O6/c14-11(15)6-9(8-4-2-1-3-5-8)10(13(18)19)7-12(16)17/h1-5,9-10H,6-7H2,(H,14,15)(H,16,17)(H,18,19)