2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; propane-1,2-diol

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; propane-1,2-diol Openeye Name: adipic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; propane-1,2-diol CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; propane-1,2-diol IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; hexane-1,6-diol; propane-1,2-diol Traditional Name: adipic acid; 2-ethyl-2-methylol-propane-1,3-diol; hexane-1,6-diol; propane-1,2-diol Formula: C21H46O11 MolecularWeight: 474.58334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O4.C6H14O3.C6H14O2.C3H8O2/c7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9;7-5-3-1-2-4-6-8;1-3(5)2-4/h1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3;7-8H,1-6H2;3-5H,2H2,1H3