bicyclo[2.2.1]hepta-1,3,5-trien-3-ol; 2,2-dioctylpropanedioic acid

Systemtic Name: bicyclo[2.2.1]hepta-1,3,5-trien-3-ol; 2,2-dioctylpropanedioic acid Openeye Name: bicyclo[2.2.1]hepta-1,3,5-trien-3-ol; 2,2-dioctylpropanedioic acid CAS Name: 3-bicyclo[2.2.1]hepta-1,3,5-trienol; 2,2-dioctylpropanedioic acid IUPAC Name: bicyclo[2.2.1]hepta-1,3,5-trien-3-ol; 2,2-dioctylpropanedioic acid Traditional Name: bicyclo[2.2.1]hepta-1,3,5-trien-3-ol; 2,2-dioctylmalonic acid Formula: C26H42O5 MolecularWeight: 434.60868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(C(=O)O)C(=O)O.C1C2=CC(=C1C=C2)O

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(C(=O)O)C(=O)O.C1C2=CC(=C1C=C2)O

InChI

InChI=1S/C19H36O4.C7H6O/c1-3-5-7-9-11-13-15-19(17(20)21,18(22)23)16-14-12-10-8-6-4-2;8-7-4-5-1-2-6(7)3-5/h3-16H2,1-2H3,(H,20,21)(H,22,23);1-2,4,8H,3H2