[(2S,3S)-3-[(3S)-3-bromanyl-4-methyl-4-oxidanyl-pentyl]-3-methyl-oxiran-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [(2S,3S)-3-[(3S)-3-bromanyl-4-methyl-4-oxidanyl-pentyl]-3-methyl-oxiran-2-yl]methyl 4-nitrobenzoate Openeye Name: [(2S,3S)-3-[(3S)-3-bromo-4-hydroxy-4-methyl-pentyl]-3-methyl-oxiran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3S)-3-[(3S)-3-bromo-4-hydroxy-4-methylpentyl]-3-methyl-2-oxiranyl]methyl ester IUPAC Name: [(2S,3S)-3-[(3S)-3-bromo-4-hydroxy-4-methylpentyl]-3-methyloxiran-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3S)-3-[(3S)-3-bromo-4-hydroxy-4-methyl-pentyl]-3-methyl-oxiran-2-yl]methyl ester Formula: C17H22BrNO6 MolecularWeight: 416.26368

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCC(C(C)(C)O)Br

Isomeric SMILES

C[C@@]1([C@@H](O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC[C@@H](C(C)(C)O)Br

InChI

InChI=1S/C17H22BrNO6/c1-16(2,21)13(18)8-9-17(3)14(25-17)10-24-15(20)11-4-6-12(7-5-11)19(22)23/h4-7,13-14,21H,8-10H2,1-3H3/t13-,14-,17-/m0/s1