2-(2-methylnaphthalen-1-yl)-2-(2-oxidanylideneheptyl)propanedioic acid

Systemtic Name: 2-(2-methylnaphthalen-1-yl)-2-(2-oxidanylideneheptyl)propanedioic acid Openeye Name: 2-(2-methyl-1-naphthyl)-2-(2-oxoheptyl)propanedioic acid CAS Name: 2-(2-methyl-1-naphthalenyl)-2-(2-oxoheptyl)propanedioic acid IUPAC Name: 2-(2-methylnaphthalen-1-yl)-2-(2-oxoheptyl)propanedioic acid Traditional Name: 2-(2-ketoheptyl)-2-(2-methyl-1-naphthyl)malonic acid Formula: C21H24O5 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CC(C1=C(C=CC2=CC=CC=C21)C)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCC(=O)CC(C1=C(C=CC2=CC=CC=C21)C)(C(=O)O)C(=O)O

InChI

InChI=1S/C21H24O5/c1-3-4-5-9-16(22)13-21(19(23)24,20(25)26)18-14(2)11-12-15-8-6-7-10-17(15)18/h6-8,10-12H,3-5,9,13H2,1-2H3,(H,23,24)(H,25,26)