6-(2-methyl-6-sulfo-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid

Systemtic Name: 6-(2-methyl-6-sulfo-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid Openeye Name: 6-(2-methyl-6-sulfo-9H-oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid CAS Name: 6-(2-methyl-6-sulfo-9H-oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid IUPAC Name: 6-(2-methyl-6-sulfo-9H-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid Traditional Name: 6-(2-methyl-6-sulfo-9H-oxazolo[5,4-b]carbazol-3-ium-3-yl)hexanoic acid Formula: C20H21N2O6S+ MolecularWeight: 417.45554

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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)/p+1