2,2-dimethyl-3-phenyl-pentanedioic acid hydrate

Systemtic Name: 2,2-dimethyl-3-phenyl-pentanedioic acid hydrate Openeye Name: 2,2-dimethyl-3-phenyl-pentanedioic acid hydrate CAS Name: 2,2-dimethyl-3-phenylpentanedioic acid hydrate IUPAC Name: 2,2-dimethyl-3-phenylpentanedioic acid hydrate Traditional Name: 2,2-dimethyl-3-phenyl-glutaric acid hydrate Formula: C13H18O5 MolecularWeight: 254.27902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4.H2O/c1-13(2,12(16)17)10(8-11(14)15)9-6-4-3-5-7-9;/h3-7,10H,8H2,1-2H3,(H,14,15)(H,16,17);1H2