1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline-3-sulfonic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline-3-sulfonic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline-3-sulfonic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3-isoquinolinesulfonic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline-3-sulfonic acid Traditional Name: 6,7-dimethoxy-1-veratryl-isoquinoline-3-sulfonic acid Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC(=CC3=CC(=C(C=C32)OC)OC)S(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC(=CC3=CC(=C(C=C32)OC)OC)S(=O)(=O)O)OC

InChI

InChI=1S/C20H21NO7S/c1-25-16-6-5-12(8-17(16)26-2)7-15-14-11-19(28-4)18(27-3)9-13(14)10-20(21-15)29(22,23)24/h5-6,8-11H,7H2,1-4H3,(H,22,23,24)