(E)-7-(6-methanoyl-4-phenyl-2-oxabicyclo[2.2.1]heptan-5-yl)hept-5-enoic acid

Systemtic Name: (E)-7-(6-methanoyl-4-phenyl-2-oxabicyclo[2.2.1]heptan-5-yl)hept-5-enoic acid Openeye Name: (E)-7-(6-formyl-4-phenyl-2-oxabicyclo[2.2.1]heptan-5-yl)hept-5-enoic acid CAS Name: (E)-7-(6-formyl-4-phenyl-2-oxabicyclo[2.2.1]heptan-5-yl)-5-heptenoic acid IUPAC Name: (E)-7-(6-formyl-4-phenyl-2-oxabicyclo[2.2.1]heptan-5-yl)hept-5-enoic acid Traditional Name: (E)-7-(6-formyl-4-phenyl-2-oxabicyclo[2.2.1]heptan-5-yl)hept-5-enoic acid Formula: C20H24O4 MolecularWeight: 328.40216

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C1(CO2)C3=CC=CC=C3)CC=CCCCC(=O)O)C=O

Isomeric SMILES

C1C2C(C(C1(CO2)C3=CC=CC=C3)C/C=C/CCCC(=O)O)C=O

InChI

InChI=1S/C20H24O4/c21-13-16-17(10-6-1-2-7-11-19(22)23)20(12-18(16)24-14-20)15-8-4-3-5-9-15/h1,3-6,8-9,13,16-18H,2,7,10-12,14H2,(H,22,23)/b6-1+