2-methyl-3-(6-oxidanyl-6-oxidanylidene-hexyl)-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate

Systemtic Name: 2-methyl-3-(6-oxidanyl-6-oxidanylidene-hexyl)-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate Openeye Name: 3-(6-hydroxy-6-oxo-hexyl)-2-methyl-9H-oxazolo[5,4-b]carbazol-3-ium-6-sulfonate CAS Name: 3-(6-hydroxy-6-oxohexyl)-2-methyl-9H-oxazolo[5,4-b]carbazol-3-ium-6-sulfonate IUPAC Name: 3-(6-hydroxy-6-oxohexyl)-2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-6-sulfonate Traditional Name: 3-(6-hydroxy-6-keto-hexyl)-2-methyl-9H-oxazolo[5,4-b]carbazol-3-ium-6-sulfonate Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(O1)C=C3C(=C2)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])CCCCCC(=O)O

Isomeric SMILES

CC1=[N+](C2=C(O1)C=C3C(=C2)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])CCCCCC(=O)O

InChI

InChI=1S/C20H20N2O6S/c1-12-22(8-4-2-3-5-20(23)24)18-10-15-14-9-13(29(25,26)27)6-7-16(14)21-17(15)11-19(18)28-12/h6-7,9-11,21H,2-5,8H2,1H3,(H-,23,24,25,26,27)