sodium 1-propanoyl-4-(2-sulfonatosulfanylethanoylamino)benzene

Systemtic Name: sodium 1-propanoyl-4-(2-sulfonatosulfanylethanoylamino)benzene Openeye Name: sodium 1-propanoyl-4-[(2-sulfonatosulfanylacetyl)amino]benzene CAS Name: sodium 1-(1-oxopropyl)-4-[[1-oxo-2-(sulfonatothio)ethyl]amino]benzene IUPAC Name: sodium 1-propanoyl-4-[(2-sulfonatosulfanylacetyl)amino]benzene Traditional Name: sodium 1-propionyl-4-[[2-(sulfonatothio)acetyl]amino]benzene Formula: C11H12NNaO5S2 MolecularWeight: 325.33645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5S2.Na/c1-2-10(13)8-3-5-9(6-4-8)12-11(14)7-18-19(15,16)17;/h3-6H,2,7H2,1H3,(H,12,14)(H,15,16,17);/q;+1/p-1