1-(phenylmethyl)butane-1,1,3-tricarboxylic acid

Systemtic Name: 1-(phenylmethyl)butane-1,1,3-tricarboxylic acid Openeye Name: 1-benzylbutane-1,1,3-tricarboxylic acid CAS Name: 1-(phenylmethyl)butane-1,1,3-tricarboxylic acid IUPAC Name: 1-benzylbutane-1,1,3-tricarboxylic acid Traditional Name: 1-benzylbutane-1,1,3-tricarboxylic acid Formula: C14H16O6 MolecularWeight: 280.27324

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC1=CC=CC=C1)(C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(CC(CC1=CC=CC=C1)(C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C14H16O6/c1-9(11(15)16)7-14(12(17)18,13(19)20)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16)(H,17,18)(H,19,20)