3-heptyl-4-phenyl-benzoic acid

Systemtic Name: 3-heptyl-4-phenyl-benzoic acid Openeye Name: 3-heptyl-4-phenyl-benzoic acid CAS Name: 3-heptyl-4-phenylbenzoic acid IUPAC Name: 3-heptyl-4-phenylbenzoic acid Traditional Name: 3-heptyl-4-phenyl-benzoic acid Formula: C20H24O2 MolecularWeight: 296.40336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C20H24O2/c1-2-3-4-5-7-12-17-15-18(20(21)22)13-14-19(17)16-10-8-6-9-11-16/h6,8-11,13-15H,2-5,7,12H2,1H3,(H,21,22)