4-(2-tert-butyl-6-methyl-azulen-1-yl)-3-methyl-2,6-diphenyl-pyrylium perchlorate

Systemtic Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-3-methyl-2,6-diphenyl-pyrylium perchlorate Openeye Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-3-methyl-2,6-diphenyl-pyrylium perchlorate CAS Name: 4-(2-tert-butyl-6-methyl-1-azulenyl)-3-methyl-2,6-diphenylpyrylium perchlorate IUPAC Name: 4-(2-tert-butyl-6-methylazulen-1-yl)-3-methyl-2,6-diphenylpyrylium perchlorate Traditional Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-3-methyl-2,6-diphenyl-pyrylium perchlorate Formula: C33H31ClO5 MolecularWeight: 543.04924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C2C(=CC(=C2C3=CC(=[O+]C(=C3C)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(=C3C)C4=CC=CC=C4)C5=CC=CC=C5)C(C)(C)C)C=C1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C33H31O.ClHO4/c1-22-16-18-26-20-29(33(3,4)5)31(27(26)19-17-22)28-21-30(24-12-8-6-9-13-24)34-32(23(28)2)25-14-10-7-11-15-25;2-1(3,4)5/h6-21H,1-5H3;(H,2,3,4,5)/q+1;/p-1