(E)-3-(3,5-dipentoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dipentoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3,5-dipentoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3,5-dipentoxy-4-(propylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3,5-dipentoxy-4-propylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3,5-diamoxy-4-(propylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C28H38O3S MolecularWeight: 454.66452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=CC(=C1SCCC)OCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=CC(=CC(=C1SCCC)OCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C28H38O3S/c1-4-7-12-18-30-26-21-23(16-17-25(29)24-14-10-9-11-15-24)22-27(28(26)32-20-6-3)31-19-13-8-5-2/h9-11,14-17,21-22H,4-8,12-13,18-20H2,1-3H3/b17-16+