6,7-dimethoxy-3-methyl-1-[(E)-2-phenylethenyl]isochromenylium perchlorate

Systemtic Name: 6,7-dimethoxy-3-methyl-1-[(E)-2-phenylethenyl]isochromenylium perchlorate Openeye Name: 6,7-dimethoxy-3-methyl-1-[(E)-styryl]isochromenylium perchlorate CAS Name: 6,7-dimethoxy-3-methyl-1-[(E)-2-phenylethenyl]-2-benzopyrylium perchlorate IUPAC Name: 6,7-dimethoxy-3-methyl-1-[(E)-2-phenylethenyl]isochromenylium perchlorate Traditional Name: 6,7-dimethoxy-3-methyl-1-[(E)-styryl]-2-benzopyrylium perchlorate Formula: C20H19ClO7 MolecularWeight: 406.81366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[O+]1)C=CC3=CC=CC=C3)OC)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[O+]1)/C=C/C3=CC=CC=C3)OC)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H19O3.ClHO4/c1-14-11-16-12-19(21-2)20(22-3)13-17(16)18(23-14)10-9-15-7-5-4-6-8-15;2-1(3,4)5/h4-13H,1-3H3;(H,2,3,4,5)/q+1;/p-1/b10-9+;