(E)-3-(4-methylsulfanyl-3-tetradecoxy-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-methylsulfanyl-3-tetradecoxy-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-methylsulfanyl-3-tetradecoxy-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(methylthio)-3-tetradecoxyphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-methylsulfanyl-3-tetradecoxyphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(methylthio)-3-myristyloxy-phenyl]-1-phenyl-prop-2-en-1-one Formula: C30H42O2S MolecularWeight: 466.71828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C30H42O2S/c1-3-4-5-6-7-8-9-10-11-12-13-17-24-32-29-25-26(21-23-30(29)33-2)20-22-28(31)27-18-15-14-16-19-27/h14-16,18-23,25H,3-13,17,24H2,1-2H3/b22-20+