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

Systemtic Name: 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6,7-dimethoxy-3-(4-methoxyphenyl)isochromenylium Openeye Name: 1-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-6,7-dimethoxy-3-(4-methoxyphenyl)isochromenylium CAS Name: 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6,7-dimethoxy-3-(4-methoxyphenyl)-2-benzopyrylium IUPAC Name: 1-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6,7-dimethoxy-3-(4-methoxyphenyl)isochromenylium Traditional Name: 1-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-6,7-dimethoxy-3-(4-methoxyphenyl)-2-benzopyrylium Formula: C28H27O6+ MolecularWeight: 459.51038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27O6/c1-29-21-10-8-19(9-11-21)25-15-20-16-27(32-4)28(33-5)17-22(20)23(34-25)12-6-18-7-13-24(30-2)26(14-18)31-3/h6-17H,1-5H3/q+1/b12-6+