bicyclo[2.2.1]hept-2-ene-5-carboxylic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol CAS Name: 5-bicyclo[2.2.1]hept-2-enecarboxylic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid; 2-ethyl-2-methylol-propane-1,3-diol Formula: C30H44O9 MolecularWeight: 548.66496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.C1C2CC(C1C=C2)C(=O)O.C1C2CC(C1C=C2)C(=O)O.C1C2CC(C1C=C2)C(=O)O

Isomeric SMILES

CCC(CO)(CO)CO.C1C2CC(C1C=C2)C(=O)O.C1C2CC(C1C=C2)C(=O)O.C1C2CC(C1C=C2)C(=O)O

InChI

InChI=1S/3C8H10O2.C6H14O3/c3*9-8(10)7-4-5-1-2-6(7)3-5;1-2-6(3-7,4-8)5-9/h3*1-2,5-7H,3-4H2,(H,9,10);7-9H,2-5H2,1H3