benzene-1,2,4-tricarboxylic acid; 6,6-dimethylheptanoic acid; oxirane

Systemtic Name: benzene-1,2,4-tricarboxylic acid; 6,6-dimethylheptanoic acid; oxirane Openeye Name: benzene-1,2,4-tricarboxylic acid; 6,6-dimethylheptanoic acid; oxirane CAS Name: benzene-1,2,4-tricarboxylic acid; 6,6-dimethylheptanoic acid; oxirane IUPAC Name: benzene-1,2,4-tricarboxylic acid; 6,6-dimethylheptanoic acid; oxirane Traditional Name: 6,6-dimethylenanthic acid; ethylene oxide; trimellitic acid Formula: C31H50O12 MolecularWeight: 614.7215

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCC(=O)O.CC(C)(C)CCCCC(=O)O.C1CO1.C1CO1.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)CCCCC(=O)O.CC(C)(C)CCCCC(=O)O.C1CO1.C1CO1.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C9H6O6.2C9H18O2.2C2H4O/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;2*1-9(2,3)7-5-4-6-8(10)11;2*1-2-3-1/h1-3H,(H,10,11)(H,12,13)(H,14,15);2*4-7H2,1-3H3,(H,10,11);2*1-2H2