7-(2,6-diphenylpyrylium-4-yl)-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium diperchlorate

Systemtic Name: 7-(2,6-diphenylpyrylium-4-yl)-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium diperchlorate Openeye Name: 7-(2,6-diphenylpyrylium-4-yl)-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium diperchlorate CAS Name: 7-(2,6-diphenyl-4-pyryliumyl)-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium diperchlorate IUPAC Name: 7-(2,6-diphenylpyrylium-4-yl)-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium diperchlorate Traditional Name: 7-(2,6-diphenylpyrylium-4-yl)-3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium diperchlorate Formula: C35H26Cl2O11 MolecularWeight: 693.48034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=[O+]C4=CC=CC=C4C(=C3CC2)C5=CC(=[O+]C(=C5)C6=CC=CC=C6)C7=CC=CC=C7.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC2=C(C=C1)C3=[O+]C4=CC=CC=C4C(=C3CC2)C5=CC(=[O+]C(=C5)C6=CC=CC=C6)C7=CC=CC=C7.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C35H26O3.2ClHO4/c1-36-27-17-19-28-25(20-27)16-18-30-34(29-14-8-9-15-31(29)38-35(28)30)26-21-32(23-10-4-2-5-11-23)37-33(22-26)24-12-6-3-7-13-24;2*2-1(3,4)5/h2-15,17,19-22H,16,18H2,1H3;2*(H,2,3,4,5)/q+2;;/p-2