3,4-bis(7-oxabicyclo[4.1.0]heptan-5-ylmethyl)phthalic acid

Systemtic Name: 3,4-bis(7-oxabicyclo[4.1.0]heptan-5-ylmethyl)phthalic acid Openeye Name: 3,4-bis(7-oxabicyclo[4.1.0]heptan-5-ylmethyl)phthalic acid CAS Name: 3,4-bis(7-oxabicyclo[4.1.0]heptan-5-ylmethyl)phthalic acid IUPAC Name: 3,4-bis(7-oxabicyclo[4.1.0]heptan-5-ylmethyl)phthalic acid Traditional Name: 3,4-bis(7-oxabicyclo[4.1.0]heptan-5-ylmethyl)phthalic acid Formula: C22H26O6 MolecularWeight: 386.43824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2C(C1)O2)CC3=C(C(=C(C=C3)C(=O)O)C(=O)O)CC4CCCC5C4O5

Isomeric SMILES

C1CC(C2C(C1)O2)CC3=C(C(=C(C=C3)C(=O)O)C(=O)O)CC4CCCC5C4O5

InChI

InChI=1S/C22H26O6/c23-21(24)14-8-7-11(9-12-3-1-5-16-19(12)27-16)15(18(14)22(25)26)10-13-4-2-6-17-20(13)28-17/h7-8,12-13,16-17,19-20H,1-6,9-10H2,(H,23,24)(H,25,26)