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

Systemtic Name: 3-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(E)-2-phenylethenyl]isochromenylium perchlorate Openeye Name: 3-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(E)-styryl]isochromenylium perchlorate CAS Name: 3-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(E)-2-phenylethenyl]-2-benzopyrylium perchlorate IUPAC Name: 3-(4-ethoxyphenyl)-6,7-dimethoxy-1-[(E)-2-phenylethenyl]isochromenylium perchlorate Traditional Name: 6,7-dimethoxy-3-p-phenetyl-1-[(E)-styryl]-2-benzopyrylium perchlorate Formula: C27H25ClO8 MolecularWeight: 512.9356

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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.[O-]Cl(=O)(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C27H25O4.ClHO4/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;2-1(3,4)5/h5-18H,4H2,1-3H3;(H,2,3,4,5)/q+1;/p-1/b15-10+;