ethyl 2-bromanyl-2-[4-(hydroxymethyl)-4-nitro-thiolan-3-yl]ethanoate

Systemtic Name: ethyl 2-bromanyl-2-[4-(hydroxymethyl)-4-nitro-thiolan-3-yl]ethanoate Openeye Name: ethyl 2-bromo-2-[4-(hydroxymethyl)-4-nitro-tetrahydrothiophen-3-yl]acetate CAS Name: 2-bromo-2-[4-(hydroxymethyl)-4-nitro-3-thiolanyl]acetic acid ethyl ester IUPAC Name: ethyl 2-bromo-2-[4-(hydroxymethyl)-4-nitrothiolan-3-yl]acetate Traditional Name: 2-bromo-2-(4-methylol-4-nitro-tetrahydrothiophen-3-yl)acetic acid ethyl ester Formula: C9H14BrNO5S MolecularWeight: 328.18016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CSCC1(CO)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)C(C1CSCC1(CO)[N+](=O)[O-])Br

InChI

InChI=1S/C9H14BrNO5S/c1-2-16-8(13)7(10)6-3-17-5-9(6,4-12)11(14)15/h6-7,12H,2-5H2,1H3