methane; 4-methylpentane-1,1,1-tricarboxylic acid

Systemtic Name: methane; 4-methylpentane-1,1,1-tricarboxylic acid Openeye Name: methane; 4-methylpentane-1,1,1-tricarboxylic acid CAS Name: methane; 4-methylpentane-1,1,1-tricarboxylic acid IUPAC Name: methane; 4-methylpentane-1,1,1-tricarboxylic acid Traditional Name: methane; 4-methylpentane-1,1,1-tricarboxylic acid Formula: C28H46O18 MolecularWeight: 670.65404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C9H14O6.CH4/c3*1-5(2)3-4-9(6(10)11,7(12)13)8(14)15;/h3*5H,3-4H2,1-2H3,(H,10,11)(H,12,13)(H,14,15);1H4