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

Systemtic Name: (E)-7-(6-methanoyl-4-phenethyl-2-oxabicyclo[2.2.1]heptan-5-yl)hept-5-enoic acid Openeye Name: (E)-7-(6-formyl-4-phenethyl-2-oxabicyclo[2.2.1]heptan-5-yl)hept-5-enoic acid CAS Name: (E)-7-(6-formyl-4-phenethyl-2-oxabicyclo[2.2.1]heptan-5-yl)-5-heptenoic acid IUPAC Name: (E)-7-(6-formyl-4-phenethyl-2-oxabicyclo[2.2.1]heptan-5-yl)hept-5-enoic acid Traditional Name: (E)-7-(6-formyl-4-phenethyl-2-oxabicyclo[2.2.1]heptan-5-yl)hept-5-enoic acid Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C1(CO2)CCC3=CC=CC=C3)CC=CCCCC(=O)O)C=O

Isomeric SMILES

C1C2C(C(C1(CO2)CCC3=CC=CC=C3)C/C=C/CCCC(=O)O)C=O

InChI

InChI=1S/C22H28O4/c23-15-18-19(10-6-1-2-7-11-21(24)25)22(14-20(18)26-16-22)13-12-17-8-4-3-5-9-17/h1,3-6,8-9,15,18-20H,2,7,10-14,16H2,(H,24,25)/b6-1+