(E)-3-[4-(3-methylbutoxy)phenyl]-1-(4-methylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(3-methylbutoxy)phenyl]-1-(4-methylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-isopentyloxyphenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-[4-(3-methylbutoxy)phenyl]-1-(4-methylsulfonylphenyl)-2-propen-1-one IUPAC Name: (E)-3-[4-(3-methylbutoxy)phenyl]-1-(4-methylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-isoamoxyphenyl)-1-(4-mesylphenyl)prop-2-en-1-one Formula: C21H24O4S MolecularWeight: 372.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C21H24O4S/c1-16(2)14-15-25-19-9-4-17(5-10-19)6-13-21(22)18-7-11-20(12-8-18)26(3,23)24/h4-13,16H,14-15H2,1-3H3/b13-6+