3-(phenylcarbamothioylsulfanyl)propane-1-sulfonate

Systemtic Name: 3-(phenylcarbamothioylsulfanyl)propane-1-sulfonate Openeye Name: 3-(phenylcarbamothioylsulfanyl)propane-1-sulfonate CAS Name: 3-[[anilino(sulfanylidene)methyl]thio]-1-propanesulfonate IUPAC Name: 3-(phenylcarbamothioylsulfanyl)propane-1-sulfonate Traditional Name: 3-(phenylthiocarbamoylthio)propane-1-sulfonate Formula: C10H12NO3S3- MolecularWeight: 290.40218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)SCCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)SCCCS(=O)(=O)[O-]

InChI

InChI=1S/C10H13NO3S3/c12-17(13,14)8-4-7-16-10(15)11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,15)(H,12,13,14)/p-1