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

Systemtic Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-2,3,6-triphenyl-pyrylium perchlorate Openeye Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-2,3,6-triphenyl-pyrylium perchlorate CAS Name: 4-(2-tert-butyl-6-methyl-1-azulenyl)-2,3,6-triphenylpyrylium perchlorate IUPAC Name: 4-(2-tert-butyl-6-methylazulen-1-yl)-2,3,6-triphenylpyrylium perchlorate Traditional Name: 4-(2-tert-butyl-6-methyl-azulen-1-yl)-2,3,6-triphenyl-pyrylium perchlorate Formula: C38H33ClO5 MolecularWeight: 605.11862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C2C(=CC(=C2C3=CC(=[O+]C(=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C(C)(C)C)C=C1.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C2C(=CC(=C2C3=CC(=[O+]C(=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C(C)(C)C)C=C1.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C38H33O.ClHO4/c1-26-20-22-30-24-33(38(2,3)4)36(31(30)23-21-26)32-25-34(27-14-8-5-9-15-27)39-37(29-18-12-7-13-19-29)35(32)28-16-10-6-11-17-28;2-1(3,4)5/h5-25H,1-4H3;(H,2,3,4,5)/q+1;/p-1