2-sulfoethanoic acid; 2,3,10,11-tetramethoxy-8-methyl-6,13a-dihydro-5H-isoquinolino[2,1-b]isoquinoline

Systemtic Name: 2-sulfoethanoic acid; 2,3,10,11-tetramethoxy-8-methyl-6,13a-dihydro-5H-isoquinolino[2,1-b]isoquinoline Openeye Name: 2-sulfoacetic acid; 2,3,10,11-tetramethoxy-8-methyl-6,13a-dihydro-5H-isoquinolino[2,1-b]isoquinoline CAS Name: 2-sulfoacetic acid; 2,3,10,11-tetramethoxy-8-methyl-6,13a-dihydro-5H-isoquinolino[2,1-b]isoquinoline IUPAC Name: 2-sulfoacetic acid; 2,3,10,11-tetramethoxy-8-methyl-6,13a-dihydro-5H-isoquinolino[2,1-b]isoquinoline Traditional Name: 2-sulfoacetic acid; 2,3,10,11-tetramethoxy-8-methyl-6,13a-dihydro-5H-isoquinolin[2,1-b]isoquinoline Formula: C24H29NO9S MolecularWeight: 507.55336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=CC2=CC3N1CCC4=CC(=C(C=C34)OC)OC)OC)OC.C(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C2C=C(C(=CC2=CC3N1CCC4=CC(=C(C=C34)OC)OC)OC)OC.C(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H25NO4.C2H4O5S/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;3-2(4)1-8(5,6)7/h8-12,18H,6-7H2,1-5H3;1H2,(H,3,4)(H,5,6,7)