2,2-dimethylpropane-1,3-diol; furan-2,5-dione; hexanedioic acid; propane-1,2-diol

Systemtic Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; hexanedioic acid; propane-1,2-diol Openeye Name: adipic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; propane-1,2-diol CAS Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; hexanedioic acid; propane-1,2-diol IUPAC Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; hexanedioic acid; propane-1,2-diol Traditional Name: adipic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-quinone; propane-1,2-diol Formula: C18H32O11 MolecularWeight: 424.44008

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)O.CC(C)(CO)CO.C1=CC(=O)OC1=O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC(CO)O.CC(C)(CO)CO.C1=CC(=O)OC1=O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C6H10O4.C5H12O2.C4H2O3.C3H8O2/c7-5(8)3-1-2-4-6(9)10;1-5(2,3-6)4-7;5-3-1-2-4(6)7-3;1-3(5)2-4/h1-4H2,(H,7,8)(H,9,10);6-7H,3-4H2,1-2H3;1-2H;3-5H,2H2,1H3