2-[(E)-3-nitrobut-2-en-2-yl]sulfanylethanol

Systemtic Name: 2-[(E)-3-nitrobut-2-en-2-yl]sulfanylethanol Openeye Name: 2-[(E)-1-methyl-2-nitro-prop-1-enyl]sulfanylethanol CAS Name: 2-[[(E)-3-nitrobut-2-en-2-yl]thio]ethanol IUPAC Name: 2-[(E)-3-nitrobut-2-en-2-yl]sulfanylethanol Traditional Name: 2-[[(E)-1-methyl-2-nitro-prop-1-enyl]thio]ethanol Formula: C6H11NO3S MolecularWeight: 177.22144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)SCCO)[N+](=O)[O-]

Isomeric SMILES

C/C(=C(/C)\SCCO)/[N+](=O)[O-]

InChI

InChI=1S/C6H11NO3S/c1-5(7(9)10)6(2)11-4-3-8/h8H,3-4H2,1-2H3/b6-5+