potassium 2,3,3-trimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate

Systemtic Name: potassium 2,3,3-trimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate Openeye Name: potassium 2,3,3-trimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate CAS Name: potassium 2,3,3-trimethyl-1-(4-sulfonatobutyl)-5-indol-1-iumsulfonate IUPAC Name: potassium 2,3,3-trimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate Traditional Name: potassium 2,3,3-trimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate Formula: C15H20KNO6S2 MolecularWeight: 413.5507

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-])CCCCS(=O)(=O)[O-].[K+]

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO6S2.K/c1-11-15(2,3)13-10-12(24(20,21)22)6-7-14(13)16(11)8-4-5-9-23(17,18)19;/h6-7,10H,4-5,8-9H2,1-3H3,(H-,17,18,19,20,21,22);/q;+1/p-1