(E)-1-(3-dodecoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(3-dodecoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-1-(3-dodecoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-1-(3-dodecoxyphenyl)-3-[4-(methylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(3-dodecoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(3-lauryloxyphenyl)-3-[4-(methylthio)phenyl]prop-2-en-1-one Formula: C28H38O2S MolecularWeight: 438.66512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=CC(=C1)C(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C28H38O2S/c1-3-4-5-6-7-8-9-10-11-12-22-30-26-15-13-14-25(23-26)28(29)21-18-24-16-19-27(31-2)20-17-24/h13-21,23H,3-12,22H2,1-2H3/b21-18+