4-(4,8-dimethylazulen-1-yl)-2,6-diphenyl-pyrylium perchlorate

Systemtic Name: 4-(4,8-dimethylazulen-1-yl)-2,6-diphenyl-pyrylium perchlorate Openeye Name: 4-(4,8-dimethylazulen-1-yl)-2,6-diphenyl-pyrylium perchlorate CAS Name: 4-(4,8-dimethyl-1-azulenyl)-2,6-diphenylpyrylium perchlorate IUPAC Name: 4-(4,8-dimethylazulen-1-yl)-2,6-diphenylpyrylium perchlorate Traditional Name: 4-(4,8-dimethylazulen-1-yl)-2,6-diphenyl-pyrylium perchlorate Formula: C29H23ClO5 MolecularWeight: 486.94292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=C2C(=CC=C1)C)C3=CC(=[O+]C(=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C2C=CC(=C2C(=CC=C1)C)C3=CC(=[O+]C(=C3)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C29H23O.ClHO4/c1-20-10-9-11-21(2)29-25(20)16-17-26(29)24-18-27(22-12-5-3-6-13-22)30-28(19-24)23-14-7-4-8-15-23;2-1(3,4)5/h3-19H,1-2H3;(H,2,3,4,5)/q+1;/p-1