4-oxidanylidene-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid hydrate

Systemtic Name: 4-oxidanylidene-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid hydrate Openeye Name: 4-oxo-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid hydrate CAS Name: 4-oxo-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid hydrate IUPAC Name: 4-oxo-4-(2,3,4,5,6-pentamethylphenyl)butanoic acid hydrate Traditional Name: 4-keto-4-(2,3,4,5,6-pentamethylphenyl)butyric acid hydrate Formula: C15H22O4 MolecularWeight: 266.33278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)C(=O)CCC(=O)O)C)C.O

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)C(=O)CCC(=O)O)C)C.O

InChI

InChI=1S/C15H20O3.H2O/c1-8-9(2)11(4)15(12(5)10(8)3)13(16)6-7-14(17)18;/h6-7H2,1-5H3,(H,17,18);1H2