4-(2-tert-butyl-6-methyl-azulen-1-yl)-2,6-dimethyl-pyrylium perchlorate

Systemtic Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-2,6-dimethyl-pyrylium perchlorate Openeye Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-2,6-dimethyl-pyrylium perchlorate CAS Name: 4-(2-tert-butyl-6-methyl-1-azulenyl)-2,6-dimethylpyrylium perchlorate IUPAC Name: 4-(2-tert-butyl-6-methylazulen-1-yl)-2,6-dimethylpyrylium perchlorate Traditional Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-2,6-dimethyl-pyrylium perchlorate Formula: C22H25ClO5 MolecularWeight: 404.8839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C2C(=CC(=C2C3=CC(=[O+]C(=C3)C)C)C(C)(C)C)C=C1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C2C(=CC(=C2C3=CC(=[O+]C(=C3)C)C)C(C)(C)C)C=C1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C22H25O.ClHO4/c1-14-7-9-17-13-20(22(4,5)6)21(19(17)10-8-14)18-11-15(2)23-16(3)12-18;2-1(3,4)5/h7-13H,1-6H3;(H,2,3,4,5)/q+1;/p-1