2,2-dimethylpentanedioic acid; 3,3-dimethylpentanedioic acid; 3-methylpentanedioic acid; 2-phenylpentanedioic acid

Systemtic Name: 2,2-dimethylpentanedioic acid; 3,3-dimethylpentanedioic acid; 3-methylpentanedioic acid; 2-phenylpentanedioic acid Openeye Name: 2,2-dimethylpentanedioic acid; 3,3-dimethylpentanedioic acid; 3-methylpentanedioic acid; 2-phenylpentanedioic acid CAS Name: 2,2-dimethylpentanedioic acid; 3,3-dimethylpentanedioic acid; 3-methylpentanedioic acid; 2-phenylpentanedioic acid IUPAC Name: 2,2-dimethylpentanedioic acid; 3,3-dimethylpentanedioic acid; 3-methylpentanedioic acid; 2-phenylpentanedioic acid Traditional Name: 2,2-dimethylglutaric acid; 3,3-dimethylglutaric acid; 3-methylglutaric acid; 2-phenylglutaric acid Formula: C31H46O16 MolecularWeight: 674.68734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O4.2C7H12O4.C6H10O4/c12-10(13)7-6-9(11(14)15)8-4-2-1-3-5-8;1-7(2,3-5(8)9)4-6(10)11;1-7(2,6(10)11)4-3-5(8)9;1-4(2-5(7)8)3-6(9)10/h1-5,9H,6-7H2,(H,12,13)(H,14,15);2*3-4H2,1-2H3,(H,8,9)(H,10,11);4H,2-3H2,1H3,(H,7,8)(H,9,10)