7-bromanyl-1,2,3,4,5,6,7-heptakis-phenyl-cyclohepta-1,3,5-triene

Systemtic Name: 7-bromanyl-1,2,3,4,5,6,7-heptakis-phenyl-cyclohepta-1,3,5-triene Openeye Name: 7-bromo-1,2,3,4,5,6,7-heptakis-phenyl-cyclohepta-1,3,5-triene CAS Name: 7-bromo-1,2,3,4,5,6,7-heptakis-phenylcyclohepta-1,3,5-triene IUPAC Name: 7-bromo-1,2,3,4,5,6,7-heptakis-phenylcyclohepta-1,3,5-triene Traditional Name: 7-bromo-1,2,3,4,5,6,7-heptakis-phenyl-cyclohepta-1,3,5-triene Formula: C49H35Br MolecularWeight: 703.7062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)Br)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)Br)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C49H35Br/c50-49(42-34-20-7-21-35-42)47(40-30-16-5-17-31-40)45(38-26-12-3-13-27-38)43(36-22-8-1-9-23-36)44(37-24-10-2-11-25-37)46(39-28-14-4-15-29-39)48(49)41-32-18-6-19-33-41/h1-35H