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

Systemtic Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-2,6-diphenyl-pyrylium perchlorate Openeye Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-2,6-diphenyl-pyrylium perchlorate CAS Name: 4-(2-tert-butyl-6-methyl-1-azulenyl)-2,6-diphenylpyrylium perchlorate IUPAC Name: 4-(2-tert-butyl-6-methylazulen-1-yl)-2,6-diphenylpyrylium perchlorate Traditional Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-2,6-diphenyl-pyrylium perchlorate Formula: C32H29ClO5 MolecularWeight: 529.02266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C2C(=CC(=C2C3=CC(=[O+]C(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)C)C=C1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C2C(=CC(=C2C3=CC(=[O+]C(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)C)C=C1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C32H29O.ClHO4/c1-22-15-17-25-19-28(32(2,3)4)31(27(25)18-16-22)26-20-29(23-11-7-5-8-12-23)33-30(21-26)24-13-9-6-10-14-24;2-1(3,4)5/h5-21H,1-4H3;(H,2,3,4,5)/q+1;/p-1