potassium 3-(naphthalen-1-ylcarbamothioylsulfanyl)propane-1-sulfonate

Systemtic Name: potassium 3-(naphthalen-1-ylcarbamothioylsulfanyl)propane-1-sulfonate Openeye Name: potassium 3-(1-naphthylcarbamothioylsulfanyl)propane-1-sulfonate CAS Name: potassium 3-[[(1-naphthalenylamino)-sulfanylidenemethyl]thio]-1-propanesulfonate IUPAC Name: potassium 3-(naphthalen-1-ylcarbamothioylsulfanyl)propane-1-sulfonate Traditional Name: potassium 3-(1-naphthylthiocarbamoylthio)propane-1-sulfonate Formula: C14H14KNO3S3 MolecularWeight: 379.55916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=S)SCCCS(=O)(=O)[O-].[K+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=S)SCCCS(=O)(=O)[O-].[K+]

InChI

InChI=1S/C14H15NO3S3.K/c16-21(17,18)10-4-9-20-14(19)15-13-8-3-6-11-5-1-2-7-12(11)13;/h1-3,5-8H,4,9-10H2,(H,15,19)(H,16,17,18);/q;+1/p-1