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

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid; hexanedioic acid Openeye Name: adipic acid; 2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid; hexanedioic acid IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; heptanoic acid; hexanedioic acid Traditional Name: adipic acid; 2,2-dimethylolpropane-1,3-diol; enanthic acid Formula: C18H36O10 MolecularWeight: 412.47244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H14O2.C6H10O4.C5H12O4/c1-2-3-4-5-6-7(8)9;7-5(8)3-1-2-4-6(9)10;6-1-5(2-7,3-8)4-9/h2-6H2,1H3,(H,8,9);1-4H2,(H,7,8)(H,9,10);6-9H,1-4H2