(E)-2-(4-methylsulfonyl-2-nitro-phenyl)-3-oxidanyl-prop-2-enal

Systemtic Name: (E)-2-(4-methylsulfonyl-2-nitro-phenyl)-3-oxidanyl-prop-2-enal Openeye Name: (E)-3-hydroxy-2-(4-methylsulfonyl-2-nitro-phenyl)prop-2-enal CAS Name: (E)-3-hydroxy-2-(4-methylsulfonyl-2-nitrophenyl)-2-propenal IUPAC Name: (E)-3-hydroxy-2-(4-methylsulfonyl-2-nitrophenyl)prop-2-enal Traditional Name: (E)-3-hydroxy-2-(4-mesyl-2-nitro-phenyl)acrolein Formula: C10H9NO6S MolecularWeight: 271.24656

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=CO)C=O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO6S/c1-18(16,17)8-2-3-9(7(5-12)6-13)10(4-8)11(14)15/h2-6,12H,1H3/b7-5-