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

Systemtic Name: butane-1,3-diol; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; hexanedioic acid Openeye Name: adipic acid; butane-1,3-diol; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione CAS Name: butane-1,3-diol; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; hexanedioic acid IUPAC Name: butane-1,3-diol; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione; hexanedioic acid Traditional Name: adipic acid; butane-1,3-diol; 2,2-dimethylpropane-1,3-diol; furan-2,5-quinone Formula: C19H34O11 MolecularWeight: 438.46666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O4.C5H12O2.C4H2O3.C4H10O2/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;1-4(6)2-3-5/h1-4H2,(H,7,8)(H,9,10);6-7H,3-4H2,1-2H3;1-2H;4-6H,2-3H2,1H3