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

Systemtic Name: potassium 2,3,3-trimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate Openeye Name: potassium 2,3,3-trimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate CAS Name: potassium 2,3,3-trimethyl-1-(3-sulfonatopropyl)-5-indol-1-iumsulfonate IUPAC Name: potassium 2,3,3-trimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate Traditional Name: potassium 2,3,3-trimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-sulfonate Formula: C14H18KNO6S2 MolecularWeight: 399.52412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO6S2.K/c1-10-14(2,3)12-9-11(23(19,20)21)5-6-13(12)15(10)7-4-8-22(16,17)18;/h5-6,9H,4,7-8H2,1-3H3,(H-,16,17,18,19,20,21);/q;+1/p-1