potassium (2E)-1-ethyl-2-[(E)-3-(1-hex-5-ynyl-3,3-dimethyl-5-sulfonato-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indole-5-sulfonate

Systemtic Name: potassium (2E)-1-ethyl-2-[(E)-3-(1-hex-5-ynyl-3,3-dimethyl-5-sulfonato-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indole-5-sulfonate Openeye Name: potassium (2E)-1-ethyl-2-[(E)-3-(1-hex-5-ynyl-3,3-dimethyl-5-sulfonato-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indoline-5-sulfonate CAS Name: potassium (2E)-1-ethyl-2-[(E)-3-(1-hex-5-ynyl-3,3-dimethyl-5-sulfonato-2-indol-1-iumyl)prop-2-enylidene]-3,3-dimethyl-5-indolesulfonate IUPAC Name: potassium (2E)-1-ethyl-2-[(E)-3-(1-hex-5-ynyl-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole-5-sulfonate Traditional Name: potassium (2E)-1-ethyl-2-[(E)-3-(1-hex-5-ynyl-3,3-dimethyl-5-sulfonato-indol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-indoline-5-sulfonate Formula: C31H35KN2O6S2 MolecularWeight: 634.8477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(C1=CC=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)[O-])CCCCC#C)(C)C.[K+]

Isomeric SMILES

CCN\1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(/C1=C\C=C\C3=[N+](C4=C(C3(C)C)C=C(C=C4)S(=O)(=O)[O-])CCCCC#C)(C)C.[K+]

InChI

InChI=1S/C31H36N2O6S2.K/c1-7-9-10-11-19-33-27-18-16-23(41(37,38)39)21-25(27)31(5,6)29(33)14-12-13-28-30(3,4)24-20-22(40(34,35)36)15-17-26(24)32(28)8-2;/h1,12-18,20-21H,8-11,19H2,2-6H3,(H-,34,35,36,37,38,39);/q;+1/p-1