3-oxidanylidene-2-(2,4,6-trimethylphenyl)hexanedioic acid

Systemtic Name: 3-oxidanylidene-2-(2,4,6-trimethylphenyl)hexanedioic acid Openeye Name: 3-oxo-2-(2,4,6-trimethylphenyl)hexanedioic acid CAS Name: 3-oxo-2-(2,4,6-trimethylphenyl)hexanedioic acid IUPAC Name: 3-oxo-2-(2,4,6-trimethylphenyl)hexanedioic acid Traditional Name: 3-keto-2-mesityl-adipic acid Formula: C15H18O5 MolecularWeight: 278.30042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O5/c1-8-6-9(2)13(10(3)7-8)14(15(19)20)11(16)4-5-12(17)18/h6-7,14H,4-5H2,1-3H3,(H,17,18)(H,19,20)