2-nitrooxyethyl (E)-2-(4-bromophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoate

Systemtic Name: 2-nitrooxyethyl (E)-2-(4-bromophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoate Openeye Name: 2-nitrooxyethyl (E)-2-(4-bromophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoate CAS Name: (E)-2-(4-bromophenyl)-3-(4-methylsulfonylphenyl)-2-propenoic acid 2-nitrooxyethyl ester IUPAC Name: 2-nitrooxyethyl (E)-2-(4-bromophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-2-(4-bromophenyl)-3-(4-mesylphenyl)acrylic acid 2-nitrooxyethyl ester Formula: C18H16BrNO7S MolecularWeight: 470.29114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C=C(\C2=CC=C(C=C2)Br)/C(=O)OCCO[N+](=O)[O-]

InChI

InChI=1S/C18H16BrNO7S/c1-28(24,25)16-8-2-13(3-9-16)12-17(14-4-6-15(19)7-5-14)18(21)26-10-11-27-20(22)23/h2-9,12H,10-11H2,1H3/b17-12+