sodium 3-ethoxycarbothioylsulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-ethoxycarbothioylsulfanylpropane-1-sulfonate Openeye Name: sodium 3-ethoxycarbothioylsulfanylpropane-1-sulfonate CAS Name: sodium 3-[[ethoxy(sulfanylidene)methyl]thio]-1-propanesulfonate IUPAC Name: sodium 3-ethoxycarbothioylsulfanylpropane-1-sulfonate Traditional Name: sodium 3-(ethoxycarbothioylthio)propane-1-sulfonate Formula: C6H11NaO4S3 MolecularWeight: 266.33391

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCOC(=S)SCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C6H12O4S3.Na/c1-2-10-6(11)12-4-3-5-13(7,8)9;/h2-5H2,1H3,(H,7,8,9);/q;+1/p-1