2-sulfoethanoic acid; 2,3,11,12-tetramethoxy-8-methyl-8H-isoquinolino[2,1-b]isoquinoline

Systemtic Name: 2-sulfoethanoic acid; 2,3,11,12-tetramethoxy-8-methyl-8H-isoquinolino[2,1-b]isoquinoline Openeye Name: 2-sulfoacetic acid; 2,3,11,12-tetramethoxy-8-methyl-8H-isoquinolino[2,1-b]isoquinoline CAS Name: 2-sulfoacetic acid; 2,3,11,12-tetramethoxy-8-methyl-8H-isoquinolino[2,1-b]isoquinoline IUPAC Name: 2-sulfoacetic acid; 2,3,11,12-tetramethoxy-8-methyl-8H-isoquinolino[2,1-b]isoquinoline Traditional Name: 2-sulfoacetic acid; 2,3,11,12-tetramethoxy-8-methyl-8H-isoquinolin[2,1-b]isoquinoline Formula: C24H27NO9S MolecularWeight: 505.53748

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=C3N1C=CC4=CC(=C(C=C43)OC)OC)C(=C(C=C2)OC)OC.C(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1C2=C(C=C3N1C=CC4=CC(=C(C=C43)OC)OC)C(=C(C=C2)OC)OC.C(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H23NO4.C2H4O5S/c1-13-15-6-7-19(24-2)22(27-5)17(15)11-18-16-12-21(26-4)20(25-3)10-14(16)8-9-23(13)18;3-2(4)1-8(5,6)7/h6-13H,1-5H3;1H2,(H,3,4)(H,5,6,7)