4-(4-chloranylbutyl)-2-(4-methylphenyl)chromenylium perchlorate

Systemtic Name: 4-(4-chloranylbutyl)-2-(4-methylphenyl)chromenylium perchlorate Openeye Name: 4-(4-chlorobutyl)-2-(p-tolyl)chromenylium perchlorate CAS Name: 4-(4-chlorobutyl)-2-(4-methylphenyl)-1-benzopyrylium perchlorate IUPAC Name: 4-(4-chlorobutyl)-2-(4-methylphenyl)chromenylium perchlorate Traditional Name: 4-(4-chlorobutyl)-2-(p-tolyl)-1-benzopyrylium perchlorate Formula: C20H20Cl2O5 MolecularWeight: 411.2758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C(=C2)CCCCCl.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C(=C2)CCCCCl.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H20ClO.ClHO4/c1-15-9-11-16(12-10-15)20-14-17(6-4-5-13-21)18-7-2-3-8-19(18)22-20;2-1(3,4)5/h2-3,7-12,14H,4-6,13H2,1H3;(H,2,3,4,5)/q+1;/p-1