3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-[(E)-2-phenylethenyl]isochromenylium perchlorate

Systemtic Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-[(E)-2-phenylethenyl]isochromenylium perchlorate Openeye Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-[(E)-styryl]isochromenylium perchlorate CAS Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-[(E)-2-phenylethenyl]-2-benzopyrylium perchlorate IUPAC Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-[(E)-2-phenylethenyl]isochromenylium perchlorate Traditional Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-[(E)-styryl]-2-benzopyrylium perchlorate Formula: C27H25ClO9 MolecularWeight: 528.935

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=CC(=C(C=C3C(=[O+]2)C=CC4=CC=CC=C4)OC)OC)OC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC(=C(C=C3C(=[O+]2)/C=C/C4=CC=CC=C4)OC)OC)OC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C27H25O5.ClHO4/c1-28-23-13-11-19(14-25(23)29-2)24-15-20-16-26(30-3)27(31-4)17-21(20)22(32-24)12-10-18-8-6-5-7-9-18;2-1(3,4)5/h5-17H,1-4H3;(H,2,3,4,5)/q+1;/p-1/b12-10+;