4-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]butan-2-one

Systemtic Name: 4-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]butan-2-one Openeye Name: 4-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]butan-2-one CAS Name: 4-[4-(4-methylsulfonyl-2-nitrophenoxy)phenyl]-2-butanone IUPAC Name: 4-[4-(4-methylsulfonyl-2-nitrophenoxy)phenyl]butan-2-one Traditional Name: 4-[4-(4-mesyl-2-nitro-phenoxy)phenyl]butan-2-one Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO6S/c1-12(19)3-4-13-5-7-14(8-6-13)24-17-10-9-15(25(2,22)23)11-16(17)18(20)21/h5-11H,3-4H2,1-2H3