4-methanoyl-9-methoxy-2,2,8,8-tetramethyl-5,9-bis(oxidanylidene)-3-phenyl-nonanoic acid

Systemtic Name: 4-methanoyl-9-methoxy-2,2,8,8-tetramethyl-5,9-bis(oxidanylidene)-3-phenyl-nonanoic acid Openeye Name: 4-formyl-9-methoxy-2,2,8,8-tetramethyl-5,9-dioxo-3-phenyl-nonanoic acid CAS Name: 4-formyl-9-methoxy-2,2,8,8-tetramethyl-5,9-dioxo-3-phenylnonanoic acid IUPAC Name: 4-formyl-9-methoxy-2,2,8,8-tetramethyl-5,9-dioxo-3-phenylnonanoic acid Traditional Name: 4-formyl-5,9-diketo-9-methoxy-2,2,8,8-tetramethyl-3-phenyl-pelargonic acid Formula: C21H28O6 MolecularWeight: 376.44342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(=O)C(C=O)C(C1=CC=CC=C1)C(C)(C)C(=O)O)C(=O)OC

Isomeric SMILES

CC(C)(CCC(=O)C(C=O)C(C1=CC=CC=C1)C(C)(C)C(=O)O)C(=O)OC

InChI

InChI=1S/C21H28O6/c1-20(2,19(26)27-5)12-11-16(23)15(13-22)17(21(3,4)18(24)25)14-9-7-6-8-10-14/h6-10,13,15,17H,11-12H2,1-5H3,(H,24,25)