1-(3-chloranylpropyl)-3-(4-methoxyphenyl)benzo[f]chromen-4-ium perchlorate

Systemtic Name: 1-(3-chloranylpropyl)-3-(4-methoxyphenyl)benzo[f]chromen-4-ium perchlorate Openeye Name: 1-(3-chloropropyl)-3-(4-methoxyphenyl)benzo[f]chromen-4-ium perchlorate CAS Name: 1-(3-chloropropyl)-3-(4-methoxyphenyl)benzo[f][1]benzopyran-4-ium perchlorate IUPAC Name: 1-(3-chloropropyl)-3-(4-methoxyphenyl)benzo[f]chromen-4-ium perchlorate Traditional Name: 1-(3-chloropropyl)-3-(4-methoxyphenyl)benzo[f]chromen-4-ium perchlorate Formula: C23H20Cl2O6 MolecularWeight: 463.3073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[O+]C3=C(C4=CC=CC=C4C=C3)C(=C2)CCCCl.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=[O+]C3=C(C4=CC=CC=C4C=C3)C(=C2)CCCCl.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C23H20ClO2.ClHO4/c1-25-19-11-8-17(9-12-19)22-15-18(6-4-14-24)23-20-7-3-2-5-16(20)10-13-21(23)26-22;2-1(3,4)5/h2-3,5,7-13,15H,4,6,14H2,1H3;(H,2,3,4,5)/q+1;/p-1