6,6-dimethylheptanoic acid; hexanedioic acid; oxirane

Systemtic Name: 6,6-dimethylheptanoic acid; hexanedioic acid; oxirane Openeye Name: adipic acid; 6,6-dimethylheptanoic acid; oxirane CAS Name: 6,6-dimethylheptanoic acid; hexanedioic acid; oxirane IUPAC Name: 6,6-dimethylheptanoic acid; hexanedioic acid; oxirane Traditional Name: adipic acid; 6,6-dimethylenanthic acid; ethylene oxide Formula: C28H54O10 MolecularWeight: 550.72236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCC(=O)O.CC(C)(C)CCCCC(=O)O.C1CO1.C1CO1.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC(C)(C)CCCCC(=O)O.CC(C)(C)CCCCC(=O)O.C1CO1.C1CO1.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/2C9H18O2.C6H10O4.2C2H4O/c2*1-9(2,3)7-5-4-6-8(10)11;7-5(8)3-1-2-4-6(9)10;2*1-2-3-1/h2*4-7H2,1-3H3,(H,10,11);1-4H2,(H,7,8)(H,9,10);2*1-2H2