sodium; 1-ethylsulfanyl-N-(1-ethylsulfanylethyl)ethanamine; 2-phenylethanoate

Systemtic Name: sodium; 1-ethylsulfanyl-N-(1-ethylsulfanylethyl)ethanamine; 2-phenylethanoate Openeye Name: sodium; 1-ethylsulfanyl-N-(1-ethylsulfanylethyl)ethanamine; 2-phenylacetate CAS Name: sodium; 1-(ethylthio)-N-[1-(ethylthio)ethyl]ethanamine; 2-phenylacetate IUPAC Name: sodium; 1-ethylsulfanyl-N-(1-ethylsulfanylethyl)ethanamine; 2-phenylacetate Traditional Name: sodium; bis[1-(ethylthio)ethyl]amine; 2-phenylacetate Formula: C16H26NNaO2S2 MolecularWeight: 351.50291

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)NC(C)SCC.C1=CC=C(C=C1)CC(=O)[O-].[Na+]

Isomeric SMILES

CCSC(C)NC(C)SCC.C1=CC=C(C=C1)CC(=O)[O-].[Na+]

InChI

InChI=1S/C8H19NS2.C8H8O2.Na/c1-5-10-7(3)9-8(4)11-6-2;9-8(10)6-7-4-2-1-3-5-7;/h7-9H,5-6H2,1-4H3;1-5H,6H2,(H,9,10);/q;;+1/p-1