1-[(2S)-3-[ethyl(sulfonato)azaniumyl]-2-oxidanyl-propoxy]-4-nitro-benzene

Systemtic Name: 1-[(2S)-3-[ethyl(sulfonato)azaniumyl]-2-oxidanyl-propoxy]-4-nitro-benzene Openeye Name: 1-[(2S)-3-[ethyl(sulfonato)ammonio]-2-hydroxy-propoxy]-4-nitro-benzene CAS Name: 1-[(2S)-3-[ethyl(sulfonato)ammonio]-2-hydroxypropoxy]-4-nitrobenzene IUPAC Name: 1-[(2S)-3-[ethyl(sulfonato)azaniumyl]-2-hydroxypropoxy]-4-nitrobenzene Traditional Name: 1-[(2S)-3-[ethyl(sulfonato)ammonio]-2-hydroxy-propoxy]-4-nitro-benzene Formula: C11H16N2O7S MolecularWeight: 320.31894

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(COC1=CC=C(C=C1)[N+](=O)[O-])O)S(=O)(=O)[O-]

Isomeric SMILES

CC[NH+](C[C@@H](COC1=CC=C(C=C1)[N+](=O)[O-])O)S(=O)(=O)[O-]

InChI

InChI=1S/C11H16N2O7S/c1-2-12(21(17,18)19)7-10(14)8-20-11-5-3-9(4-6-11)13(15)16/h3-6,10,14H,2,7-8H2,1H3,(H,17,18,19)/t10-/m0/s1