[7-[(3,4-dimethoxyphenyl)methyl]-2,3-dimethoxy-quinolin-8-yl] hydrogen sulfate

Systemtic Name: [7-[(3,4-dimethoxyphenyl)methyl]-2,3-dimethoxy-quinolin-8-yl] hydrogen sulfate Openeye Name: [7-[(3,4-dimethoxyphenyl)methyl]-2,3-dimethoxy-8-quinolyl] hydrogen sulfate CAS Name: sulfuric acid [7-[(3,4-dimethoxyphenyl)methyl]-2,3-dimethoxy-8-quinolinyl] ester IUPAC Name: [7-[(3,4-dimethoxyphenyl)methyl]-2,3-dimethoxyquinolin-8-yl] hydrogen sulfate Traditional Name: sulfuric acid (2,3-dimethoxy-7-veratryl-8-quinolyl) ester Formula: C20H21NO8S MolecularWeight: 435.44764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=C(C3=NC(=C(C=C3C=C2)OC)OC)OS(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=C(C3=NC(=C(C=C3C=C2)OC)OC)OS(=O)(=O)O)OC

InChI

InChI=1S/C20H21NO8S/c1-25-15-8-5-12(10-16(15)26-2)9-14-7-6-13-11-17(27-3)20(28-4)21-18(13)19(14)29-30(22,23)24/h5-8,10-11H,9H2,1-4H3,(H,22,23,24)