4-azulen-1-yl-3-methyl-2,6-diphenyl-pyrylium perchlorate

Systemtic Name: 4-azulen-1-yl-3-methyl-2,6-diphenyl-pyrylium perchlorate Openeye Name: 4-azulen-1-yl-3-methyl-2,6-diphenyl-pyrylium perchlorate CAS Name: 4-(1-azulenyl)-3-methyl-2,6-diphenylpyrylium perchlorate IUPAC Name: 4-azulen-1-yl-3-methyl-2,6-diphenylpyrylium perchlorate Traditional Name: 4-azulen-1-yl-3-methyl-2,6-diphenyl-pyrylium perchlorate Formula: C28H21ClO5 MolecularWeight: 472.91634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([O+]=C(C=C1C2=C3C=CC=CC=C3C=C2)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=C([O+]=C(C=C1C2=C3C=CC=CC=C3C=C2)C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C28H21O.ClHO4/c1-20-26(25-18-17-21-11-5-4-10-16-24(21)25)19-27(22-12-6-2-7-13-22)29-28(20)23-14-8-3-9-15-23;2-1(3,4)5/h2-19H,1H3;(H,2,3,4,5)/q+1;/p-1