4-carboxy-2,2,3-trimethyl-6-oxidanyl-6-oxidanylidene-5-phenyl-hexanoate

Systemtic Name: 4-carboxy-2,2,3-trimethyl-6-oxidanyl-6-oxidanylidene-5-phenyl-hexanoate Openeye Name: 4-carboxy-6-hydroxy-2,2,3-trimethyl-6-oxo-5-phenyl-hexanoate CAS Name: 4-carboxy-6-hydroxy-2,2,3-trimethyl-6-oxo-5-phenylhexanoate IUPAC Name: 4-carboxy-6-hydroxy-2,2,3-trimethyl-6-oxo-5-phenylhexanoate Traditional Name: 4-carboxy-6-hydroxy-6-keto-2,2,3-trimethyl-5-phenyl-hexanoate Formula: C16H19O6- MolecularWeight: 307.31846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C1=CC=CC=C1)C(=O)O)C(=O)O)C(C)(C)C(=O)[O-]

Isomeric SMILES

CC(C(C(C1=CC=CC=C1)C(=O)O)C(=O)O)C(C)(C)C(=O)[O-]

InChI

InChI=1S/C16H20O6/c1-9(16(2,3)15(21)22)11(13(17)18)12(14(19)20)10-7-5-4-6-8-10/h4-9,11-12H,1-3H3,(H,17,18)(H,19,20)(H,21,22)/p-1