4-azulen-1-yl-3-bromanyl-2,6-diphenyl-pyrylium perchlorate

Systemtic Name: 4-azulen-1-yl-3-bromanyl-2,6-diphenyl-pyrylium perchlorate Openeye Name: 4-azulen-1-yl-3-bromo-2,6-diphenyl-pyrylium perchlorate CAS Name: 4-(1-azulenyl)-3-bromo-2,6-diphenylpyrylium perchlorate IUPAC Name: 4-azulen-1-yl-3-bromo-2,6-diphenylpyrylium perchlorate Traditional Name: 4-azulen-1-yl-3-bromo-2,6-diphenyl-pyrylium perchlorate Formula: C27H18BrClO5 MolecularWeight: 537.78582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[O+]C(=C(C(=C2)C3=C4C=CC=CC=C4C=C3)Br)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=[O+]C(=C(C(=C2)C3=C4C=CC=CC=C4C=C3)Br)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C27H18BrO.ClHO4/c28-26-24(23-17-16-19-10-4-3-9-15-22(19)23)18-25(20-11-5-1-6-12-20)29-27(26)21-13-7-2-8-14-21;2-1(3,4)5/h1-18H;(H,2,3,4,5)/q+1;/p-1