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

Systemtic Name: 3-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(E)-2-phenylethenyl]isochromenylium Openeye Name: 3-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(E)-styryl]isochromenylium CAS Name: 3-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(E)-2-phenylethenyl]-2-benzopyrylium IUPAC Name: 3-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(E)-2-phenylethenyl]isochromenylium Traditional Name: 6,7-dimethoxy-3-p-phenetyl-1-[(E)-styryl]-2-benzopyrylium Formula: C27H25O4+ MolecularWeight: 413.485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C(=[O+]2)C=CC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C(=[O+]2)/C=C/C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H25O4/c1-4-30-22-13-11-20(12-14-22)25-16-21-17-26(28-2)27(29-3)18-23(21)24(31-25)15-10-19-8-6-5-7-9-19/h5-18H,4H2,1-3H3/q+1/b15-10+