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

Systemtic Name: 2-sulfoethanoic acid; 2,3,11-trimethoxy-8-methyl-8H-isoquinolino[2,1-b]isoquinoline Openeye Name: 2-sulfoacetic acid; 2,3,11-trimethoxy-8-methyl-8H-isoquinolino[2,1-b]isoquinoline CAS Name: 2-sulfoacetic acid; 2,3,11-trimethoxy-8-methyl-8H-isoquinolino[2,1-b]isoquinoline IUPAC Name: 2-sulfoacetic acid; 2,3,11-trimethoxy-8-methyl-8H-isoquinolino[2,1-b]isoquinoline Traditional Name: 2-sulfoacetic acid; 2,3,11-trimethoxy-8-methyl-8H-isoquinolin[2,1-b]isoquinoline Formula: C23H25NO8S MolecularWeight: 475.5115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3.C2H4O5S/c1-13-17-6-5-16(23-2)9-15(17)10-19-18-12-21(25-4)20(24-3)11-14(18)7-8-22(13)19;3-2(4)1-8(5,6)7/h5-13H,1-4H3;1H2,(H,3,4)(H,5,6,7)