10,11-dimethoxy-8-methyl-8H-isoquinolino[2,1-b]isoquinoline; 2-sulfoethanoic acid

Systemtic Name: 10,11-dimethoxy-8-methyl-8H-isoquinolino[2,1-b]isoquinoline; 2-sulfoethanoic acid Openeye Name: 10,11-dimethoxy-8-methyl-8H-isoquinolino[2,1-b]isoquinoline; 2-sulfoacetic acid CAS Name: 10,11-dimethoxy-8-methyl-8H-isoquinolino[2,1-b]isoquinoline; 2-sulfoacetic acid IUPAC Name: 10,11-dimethoxy-8-methyl-8H-isoquinolino[2,1-b]isoquinoline; 2-sulfoacetic acid Traditional Name: 10,11-dimethoxy-8-methyl-8H-isoquinolin[2,1-b]isoquinoline; 2-sulfoacetic acid Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2C=C3N1C=CC4=CC=CC=C43)OC)OC.C(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1C2=CC(=C(C=C2C=C3N1C=CC4=CC=CC=C43)OC)OC.C(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H19NO2.C2H4O5S/c1-13-17-12-20(23-3)19(22-2)11-15(17)10-18-16-7-5-4-6-14(16)8-9-21(13)18;3-2(4)1-8(5,6)7/h4-13H,1-3H3;1H2,(H,3,4)(H,5,6,7)