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

Systemtic Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(4-methylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-isopentyloxy-3-methoxy-phenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(4-methylsulfonylphenyl)-2-propen-1-one IUPAC Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(4-methylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-isoamoxy-3-methoxy-phenyl)-1-(4-mesylphenyl)prop-2-en-1-one Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O5S/c1-16(2)13-14-27-21-12-6-17(15-22(21)26-3)5-11-20(23)18-7-9-19(10-8-18)28(4,24)25/h5-12,15-16H,13-14H2,1-4H3/b11-5+