sodium 2-(3-sulfonatosulfanylpropanoylamino)ethylbenzene

Systemtic Name: sodium 2-(3-sulfonatosulfanylpropanoylamino)ethylbenzene Openeye Name: sodium 2-(3-sulfonatosulfanylpropanoylamino)ethylbenzene CAS Name: sodium 2-[[1-oxo-3-(sulfonatothio)propyl]amino]ethylbenzene IUPAC Name: sodium 2-(3-sulfonatosulfanylpropanoylamino)ethylbenzene Traditional Name: sodium 2-[3-(sulfonatothio)propanoylamino]ethylbenzene Formula: C11H14NNaO4S2 MolecularWeight: 311.35293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCSS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCSS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H15NO4S2.Na/c13-11(7-9-17-18(14,15)16)12-8-6-10-4-2-1-3-5-10;/h1-5H,6-9H2,(H,12,13)(H,14,15,16);/q;+1/p-1