potassium 2,3,3-trimethyl-1-(6-oxidanyl-6-oxidanylidene-hexyl)indol-1-ium-5-sulfonate

Systemtic Name: potassium 2,3,3-trimethyl-1-(6-oxidanyl-6-oxidanylidene-hexyl)indol-1-ium-5-sulfonate Openeye Name: potassium 1-(6-hydroxy-6-oxo-hexyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonate CAS Name: potassium 1-(6-hydroxy-6-oxohexyl)-2,3,3-trimethyl-5-indol-1-iumsulfonate IUPAC Name: potassium 1-(6-hydroxy-6-oxohexyl)-2,3,3-trimethylindol-1-ium-5-sulfonate Traditional Name: potassium 1-(6-hydroxy-6-keto-hexyl)-2,3,3-trimethyl-indol-1-ium-5-sulfonate Formula: C17H23KNO5S+ MolecularWeight: 392.53152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)[O-])CCCCCC(=O)O.[K+]

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C=C(C=C2)S(=O)(=O)[O-])CCCCCC(=O)O.[K+]

InChI

InChI=1S/C17H23NO5S.K/c1-12-17(2,3)14-11-13(24(21,22)23)8-9-15(14)18(12)10-6-4-5-7-16(19)20;/h8-9,11H,4-7,10H2,1-3H3,(H-,19,20,21,22,23);/q;+1