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

Systemtic Name: potassium (2Z)-2-[(E)-3-[1-(3-ethanoylsulfanylpropyl)-3,3-dimethyl-5-sulfonato-indol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethyl-indole-5-sulfonate Openeye Name: potassium (2Z)-2-[(E)-3-[1-(3-acetylsulfanylpropyl)-3,3-dimethyl-5-sulfonato-indol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethyl-indoline-5-sulfonate CAS Name: potassium (2Z)-2-[(E)-3-[1-[3-(acetylthio)propyl]-3,3-dimethyl-5-sulfonato-2-indol-1-iumyl]prop-2-enylidene]-1-ethyl-3,3-dimethyl-5-indolesulfonate IUPAC Name: potassium (2Z)-2-[(E)-3-[1-(3-acetylsulfanylpropyl)-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate Traditional Name: potassium (2Z)-2-[(E)-3-[1-[3-(acetylthio)propyl]-3,3-dimethyl-5-sulfonato-indol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethyl-indoline-5-sulfonate Formula: C30H35KN2O7S3 MolecularWeight: 670.9014

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-])CCCSC(=O)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-])CCCSC(=O)C)(C)C.[K+]

InChI

InChI=1S/C30H36N2O7S3.K/c1-7-31-25-14-12-21(41(34,35)36)18-23(25)29(3,4)27(31)10-8-11-28-30(5,6)24-19-22(42(37,38)39)13-15-26(24)32(28)16-9-17-40-20(2)33;/h8,10-15,18-19H,7,9,16-17H2,1-6H3,(H-,34,35,36,37,38,39);/q;+1/p-1