1,3-bis[bis(6-bromanylazulen-1-yl)methyl]-6-bromanyl-azulene

Systemtic Name: 1,3-bis[bis(6-bromanylazulen-1-yl)methyl]-6-bromanyl-azulene Openeye Name: 1,3-bis[bis(6-bromoazulen-1-yl)methyl]-6-bromo-azulene CAS Name: 1,3-bis[bis(6-bromo-1-azulenyl)methyl]-6-bromoazulene IUPAC Name: 1,3-bis[bis(6-bromoazulen-1-yl)methyl]-6-bromoazulene Traditional Name: 1,3-bis[bis(6-bromoazulen-1-yl)methyl]-6-bromo-azulene Formula: C52H31Br5 MolecularWeight: 1055.32254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C1=CC=C(C=C2)Br)C(C3=C4C=CC(=CC=C4C=C3)Br)C5=CC(=C6C5=CC=C(C=C6)Br)C(C7=C8C=CC(=CC=C8C=C7)Br)C9=C1C=CC(=CC=C1C=C9)Br

Isomeric SMILES

C1=CC(=C2C1=CC=C(C=C2)Br)C(C3=C4C=CC(=CC=C4C=C3)Br)C5=CC(=C6C5=CC=C(C=C6)Br)C(C7=C8C=CC(=CC=C8C=C7)Br)C9=C1C=CC(=CC=C1C=C9)Br

InChI

InChI=1S/C52H31Br5/c53-34-9-1-30-5-19-45(39(30)23-13-34)51(46-20-6-31-2-10-35(54)14-24-40(31)46)49-29-50(44-28-18-38(57)17-27-43(44)49)52(47-21-7-32-3-11-36(55)15-25-41(32)47)48-22-8-33-4-12-37(56)16-26-42(33)48/h1-29,51-52H