6,7-dimethoxy-3-methyl-1-phenyl-isochromenylium perchlorate

Systemtic Name: 6,7-dimethoxy-3-methyl-1-phenyl-isochromenylium perchlorate Openeye Name: 6,7-dimethoxy-3-methyl-1-phenyl-isochromenylium perchlorate CAS Name: 6,7-dimethoxy-3-methyl-1-phenyl-2-benzopyrylium perchlorate IUPAC Name: 6,7-dimethoxy-3-methyl-1-phenylisochromenylium perchlorate Traditional Name: 6,7-dimethoxy-3-methyl-1-phenyl-2-benzopyrylium perchlorate Formula: C18H17ClO7 MolecularWeight: 380.77638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17O3.ClHO4/c1-12-9-14-10-16(19-2)17(20-3)11-15(14)18(21-12)13-7-5-4-6-8-13;2-1(3,4)5/h4-11H,1-3H3;(H,2,3,4,5)/q+1;/p-1