4-ethylsulfanyl-N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-ethylsulfanyl-N-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-3-nitro-benzamide Openeye Name: 4-ethylsulfanyl-N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-3-nitro-benzamide CAS Name: N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(ethylthio)-3-nitrobenzamide IUPAC Name: N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-ethylsulfanyl-3-nitrobenzamide Traditional Name: 4-(ethylthio)-N-(2-hydroxy-1,1-dimethylol-ethyl)-3-nitro-benzamide Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)C(=O)NC(CO)(CO)CO)[N+](=O)[O-]

Isomeric SMILES

CCSC1=C(C=C(C=C1)C(=O)NC(CO)(CO)CO)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O6S/c1-2-22-11-4-3-9(5-10(11)15(20)21)12(19)14-13(6-16,7-17)8-18/h3-5,16-18H,2,6-8H2,1H3,(H,14,19)