(E)-4-(3-nitrophenyl)-3-(phenylmethyl)sulfonyl-but-3-en-2-one

Systemtic Name: (E)-4-(3-nitrophenyl)-3-(phenylmethyl)sulfonyl-but-3-en-2-one Openeye Name: (E)-3-benzylsulfonyl-4-(3-nitrophenyl)but-3-en-2-one CAS Name: (E)-4-(3-nitrophenyl)-3-(phenylmethyl)sulfonyl-3-buten-2-one IUPAC Name: (E)-3-benzylsulfonyl-4-(3-nitrophenyl)but-3-en-2-one Traditional Name: (E)-3-benzylsulfonyl-4-(3-nitrophenyl)but-3-en-2-one Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H15NO5S/c1-13(19)17(11-15-8-5-9-16(10-15)18(20)21)24(22,23)12-14-6-3-2-4-7-14/h2-11H,12H2,1H3/b17-11+