2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid

Systemtic Name: 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid Openeye Name: adipic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid IUPAC Name: 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid Traditional Name: adipic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-methylol-propane-1,3-diol Formula: C17H36O9 MolecularWeight: 384.46234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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