(E)-3-[4-(2-methylpropylsulfanyl)-2-octoxy-phenyl]-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-[4-(2-methylpropylsulfanyl)-2-octoxy-phenyl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-isobutylsulfanyl-2-octoxy-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(2-methylpropylthio)-2-octoxyphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[4-(2-methylpropylsulfanyl)-2-octoxyphenyl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(isobutylthio)-2-octoxy-phenyl]-1-phenyl-prop-2-en-1-one Formula: C27H36O2S MolecularWeight: 424.63854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)SCC(C)C)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)SCC(C)C)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H36O2S/c1-4-5-6-7-8-12-19-29-27-20-25(30-21-22(2)3)17-15-24(27)16-18-26(28)23-13-10-9-11-14-23/h9-11,13-18,20,22H,4-8,12,19,21H2,1-3H3/b18-16+