4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-nitro-6-phenyl-pyrylium perchlorate

Systemtic Name: 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-nitro-6-phenyl-pyrylium perchlorate Openeye Name: 4-[(E)-2-(4-methoxyphenyl)vinyl]-2-nitro-6-phenyl-pyrylium perchlorate CAS Name: 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-nitro-6-phenylpyrylium perchlorate IUPAC Name: 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-nitro-6-phenylpyrylium perchlorate Traditional Name: 4-[(E)-2-(4-methoxyphenyl)vinyl]-2-nitro-6-phenyl-pyrylium perchlorate Formula: C20H16ClNO8 MolecularWeight: 433.79594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2=CC(=[O+]C(=C2)[N+](=O)[O-])C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C2=CC(=[O+]C(=C2)[N+](=O)[O-])C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H16NO4.ClHO4/c1-24-18-11-9-15(10-12-18)7-8-16-13-19(17-5-3-2-4-6-17)25-20(14-16)21(22)23;2-1(3,4)5/h2-14H,1H3;(H,2,3,4,5)/q+1;/p-1/b8-7+;