4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoic acid

Systemtic Name: 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoic acid Openeye Name: 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoic acid CAS Name: 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoic acid IUPAC Name: 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoic acid Traditional Name: 4-(1-amyl-4-bicyclo[2.2.2]octanyl)benzoic acid Formula: C20H28O2 MolecularWeight: 300.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H28O2/c1-2-3-4-9-19-10-13-20(14-11-19,15-12-19)17-7-5-16(6-8-17)18(21)22/h5-8H,2-4,9-15H2,1H3,(H,21,22)