[(Z,2S)-4-(4-bromophenyl)sulfonylbut-3-en-2-yl] 4-nitrobenzoate

Systemtic Name: [(Z,2S)-4-(4-bromophenyl)sulfonylbut-3-en-2-yl] 4-nitrobenzoate Openeye Name: [(Z,1S)-3-(4-bromophenyl)sulfonyl-1-methyl-allyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(Z,2S)-4-(4-bromophenyl)sulfonylbut-3-en-2-yl] ester IUPAC Name: [(Z,2S)-4-(4-bromophenyl)sulfonylbut-3-en-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(Z,1S)-3-brosyl-1-methyl-allyl] ester Formula: C17H14BrNO6S MolecularWeight: 440.26516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CS(=O)(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](/C=C\S(=O)(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrNO6S/c1-12(10-11-26(23,24)16-8-4-14(18)5-9-16)25-17(20)13-2-6-15(7-3-13)19(21)22/h2-12H,1H3/b11-10-/t12-/m0/s1