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

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; hexanedioic acid Openeye Name: adipic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; hexanedioic acid IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; hexanedioic acid Traditional Name: adipic acid; 2,2-dimethylolpropane-1,3-diol Formula: C11H22O8 MolecularWeight: 282.28758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O4.C5H12O4/c7-5(8)3-1-2-4-6(9)10;6-1-5(2-7,3-8)4-9/h1-4H2,(H,7,8)(H,9,10);6-9H,1-4H2