hexanedioic acid; hexane-1,6-diol; 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoic acid

Systemtic Name: hexanedioic acid; hexane-1,6-diol; 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoic acid Openeye Name: adipic acid; hexane-1,6-diol; 3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoic acid CAS Name: hexanedioic acid; hexane-1,6-diol; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid IUPAC Name: hexanedioic acid; hexane-1,6-diol; 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid Traditional Name: adipic acid; hexane-1,6-diol; 3-hydroxy-2-methyl-2-methylol-propionic acid Formula: C17H34O10 MolecularWeight: 398.44586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O4.C6H14O2.C5H10O4/c7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8;1-5(2-6,3-7)4(8)9/h1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2;6-7H,2-3H2,1H3,(H,8,9)