2,2-dimethylpropane-1,3-diol; furan-2,5-dione; hexanedioic acid; 1-(2-oxidanylpropoxy)propan-2-ol

Systemtic Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; hexanedioic acid; 1-(2-oxidanylpropoxy)propan-2-ol Openeye Name: adipic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; 1-(2-hydroxypropoxy)propan-2-ol CAS Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; hexanedioic acid; 1-(2-hydroxypropoxy)-2-propanol IUPAC Name: 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; hexanedioic acid; 1-(2-hydroxypropoxy)propan-2-ol Traditional Name: adipic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-quinone; 1-(2-hydroxypropoxy)propan-2-ol Formula: C21H38O12 MolecularWeight: 482.51922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O4.C6H14O3.C5H12O2.C4H2O3/c7-5(8)3-1-2-4-6(9)10;1-5(7)3-9-4-6(2)8;1-5(2,3-6)4-7;5-3-1-2-4(6)7-3/h1-4H2,(H,7,8)(H,9,10);5-8H,3-4H2,1-2H3;6-7H,3-4H2,1-2H3;1-2H