1-(diethylazaniumyl)-2-oxidanyl-3-sulfonatosulfanyl-propane

Systemtic Name: 1-(diethylazaniumyl)-2-oxidanyl-3-sulfonatosulfanyl-propane Openeye Name: 1-(diethylammonio)-2-hydroxy-3-sulfonatosulfanyl-propane CAS Name: 1-(diethylammonio)-2-hydroxy-3-(sulfonatothio)propane IUPAC Name: 1-(diethylazaniumyl)-2-hydroxy-3-sulfonatosulfanylpropane Traditional Name: 1-(diethylammonio)-2-hydroxy-3-(sulfonatothio)propane Formula: C7H17NO4S2 MolecularWeight: 243.34418

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(CSS(=O)(=O)[O-])O

Isomeric SMILES

CC[NH+](CC)CC(CSS(=O)(=O)[O-])O

InChI

InChI=1S/C7H17NO4S2/c1-3-8(4-2)5-7(9)6-13-14(10,11)12/h7,9H,3-6H2,1-2H3,(H,10,11,12)