potassium 3-[(2Z)-2-[[1-(3-sulfonatopropyl)quinolin-1-ium-2-yl]methylidene]quinolin-1-yl]propane-1-sulfonate

Systemtic Name: potassium 3-[(2Z)-2-[[1-(3-sulfonatopropyl)quinolin-1-ium-2-yl]methylidene]quinolin-1-yl]propane-1-sulfonate Openeye Name: potassium 3-[(2Z)-2-[[1-(3-sulfonatopropyl)quinolin-1-ium-2-yl]methylene]-1-quinolyl]propane-1-sulfonate CAS Name: potassium 3-[(2Z)-2-[[1-(3-sulfonatopropyl)-2-quinolin-1-iumyl]methylidene]-1-quinolinyl]-1-propanesulfonate IUPAC Name: potassium 3-[(2Z)-2-[[1-(3-sulfonatopropyl)quinolin-1-ium-2-yl]methylidene]quinolin-1-yl]propane-1-sulfonate Traditional Name: potassium 3-[(2Z)-2-[[1-(3-sulfonatopropyl)quinolin-1-ium-2-yl]methylene]-1-quinolyl]propane-1-sulfonate Formula: C25H25KN2O6S2 MolecularWeight: 552.7041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=CC3=[N+](C4=CC=CC=C4C=C3)CCCS(=O)(=O)[O-])N2CCCS(=O)(=O)[O-].[K+]

Isomeric SMILES

C1=CC=C2C(=C1)C=C/C(=C/C3=[N+](C4=CC=CC=C4C=C3)CCCS(=O)(=O)[O-])/N2CCCS(=O)(=O)[O-].[K+]

InChI

InChI=1S/C25H26N2O6S2.K/c28-34(29,30)17-5-15-26-22(13-11-20-7-1-3-9-24(20)26)19-23-14-12-21-8-2-4-10-25(21)27(23)16-6-18-35(31,32)33;/h1-4,7-14,19H,5-6,15-18H2,(H-,28,29,30,31,32,33);/q;+1/p-1