2-[2-(3-carboxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid

Systemtic Name: 2-[2-(3-carboxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Openeye Name: 2-[2-(3-carboxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid CAS Name: 2-[2-(3-carboxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid IUPAC Name: 2-[2-(3-carboxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Traditional Name: 2-[2-(3-carboxyphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Formula: C16H18O5 MolecularWeight: 290.31112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)CCC3=CC=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CC2C(C(C1O2)CCC3=CC=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C16H18O5/c17-15(18)10-3-1-2-9(8-10)4-5-11-12-6-7-13(21-12)14(11)16(19)20/h1-3,8,11-14H,4-7H2,(H,17,18)(H,19,20)