2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 7-oxabicyclo[4.1.0]heptane-4-carboxylic acid

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 7-oxabicyclo[4.1.0]heptane-4-carboxylic acid Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 7-oxabicyclo[4.1.0]heptane-4-carboxylic acid CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 7-oxabicyclo[4.1.0]heptane-4-carboxylic acid IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 7-oxabicyclo[4.1.0]heptane-4-carboxylic acid Traditional Name: 2-ethyl-2-methylol-propane-1,3-diol; 7-oxabicyclo[4.1.0]heptane-4-carboxylic acid Formula: C40H68O18 MolecularWeight: 836.95712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CCC(CO)(CO)CO.C1CC2C(O2)CC1C(=O)O.C1CC2C(O2)CC1C(=O)O.C1CC2C(O2)CC1C(=O)O.C1CC2C(O2)CC1C(=O)O

Isomeric SMILES

CCC(CO)(CO)CO.CCC(CO)(CO)CO.C1CC2C(O2)CC1C(=O)O.C1CC2C(O2)CC1C(=O)O.C1CC2C(O2)CC1C(=O)O.C1CC2C(O2)CC1C(=O)O

InChI

InChI=1S/4C7H10O3.2C6H14O3/c4*8-7(9)4-1-2-5-6(3-4)10-5;2*1-2-6(3-7,4-8)5-9/h4*4-6H,1-3H2,(H,8,9);2*7-9H,2-5H2,1H3