2-oxidanyl-2-oxidanylidene-ethanesulfonate; 2,3,10,11-tetramethoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium; hydrate

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanesulfonate; 2,3,10,11-tetramethoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium; hydrate Openeye Name: 2-hydroxy-2-oxo-ethanesulfonate; 2,3,10,11-tetramethoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium; hydrate CAS Name: 2-hydroxy-2-oxoethanesulfonate; 2,3,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium; hydrate IUPAC Name: 2-hydroxy-2-oxoethanesulfonate; 2,3,10,11-tetramethoxy-8-methylisoquinolino[2,1-b]isoquinolin-7-ium; hydrate Traditional Name: 2-hydroxy-2-keto-ethanesulfonate; 2,3,10,11-tetramethoxy-8-methyl-isoquinolin[2,1-b]isoquinolin-7-ium; hydrate Formula: C24H27NO10S MolecularWeight: 521.53688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.C(C(=O)O)S(=O)(=O)[O-].O

Isomeric SMILES

CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.C(C(=O)O)S(=O)(=O)[O-].O

InChI

InChI=1S/C22H22NO4.C2H4O5S.H2O/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;/h6-12H,1-5H3;1H2,(H,3,4)(H,5,6,7);1H2/q+1;;/p-1