(E)-5-(4-methylphenyl)sulfonyl-1-phenyl-pent-1-en-3-one

Systemtic Name: (E)-5-(4-methylphenyl)sulfonyl-1-phenyl-pent-1-en-3-one Openeye Name: (E)-1-phenyl-5-(p-tolylsulfonyl)pent-1-en-3-one CAS Name: (E)-5-(4-methylphenyl)sulfonyl-1-phenyl-1-penten-3-one IUPAC Name: (E)-5-(4-methylphenyl)sulfonyl-1-phenylpent-1-en-3-one Traditional Name: (E)-1-phenyl-5-tosyl-pent-1-en-3-one Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H18O3S/c1-15-7-11-18(12-8-15)22(20,21)14-13-17(19)10-9-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3/b10-9+