2,5-dihexyl-3,4-diphenyl-cyclopenta-2,4-dien-1-one

Systemtic Name: 2,5-dihexyl-3,4-diphenyl-cyclopenta-2,4-dien-1-one Openeye Name: 2,5-dihexyl-3,4-diphenyl-cyclopenta-2,4-dien-1-one CAS Name: 2,5-dihexyl-3,4-diphenyl-1-cyclopenta-2,4-dienone IUPAC Name: 2,5-dihexyl-3,4-diphenylcyclopenta-2,4-dien-1-one Traditional Name: 2,5-dihexyl-3,4-diphenyl-cyclopenta-2,4-dien-1-one Formula: C29H36O MolecularWeight: 400.59554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C1=O)CCCCCC)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=C(C(=C(C1=O)CCCCCC)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H36O/c1-3-5-7-15-21-25-27(23-17-11-9-12-18-23)28(24-19-13-10-14-20-24)26(29(25)30)22-16-8-6-4-2/h9-14,17-20H,3-8,15-16,21-22H2,1-2H3