sodium 1-ethyl-4-(2-sulfonatosulfanylethanoyl)benzene

Systemtic Name: sodium 1-ethyl-4-(2-sulfonatosulfanylethanoyl)benzene Openeye Name: sodium 1-ethyl-4-(2-sulfonatosulfanylacetyl)benzene CAS Name: sodium 1-ethyl-4-[1-oxo-2-(sulfonatothio)ethyl]benzene IUPAC Name: sodium 1-ethyl-4-(2-sulfonatosulfanylacetyl)benzene Traditional Name: sodium 1-ethyl-4-[2-(sulfonatothio)acetyl]benzene Formula: C10H11NaO4S2 MolecularWeight: 282.31171

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H12O4S2.Na/c1-2-8-3-5-9(6-4-8)10(11)7-15-16(12,13)14;/h3-6H,2,7H2,1H3,(H,12,13,14);/q;+1/p-1