2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; nonane-1,2,4,9-tetrol

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; nonane-1,2,4,9-tetrol Openeye Name: adipic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; nonane-1,2,4,9-tetrol CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; nonane-1,2,4,9-tetrol IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; nonane-1,2,4,9-tetrol Traditional Name: adipic acid; 2-ethyl-2-methylol-propane-1,3-diol; nonane-1,2,4,9-tetrol Formula: C21H44O11 MolecularWeight: 472.56746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H20O4.C6H10O4.C6H14O3/c10-5-3-1-2-4-8(12)6-9(13)7-11;7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9/h8-13H,1-7H2;1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3