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3-phenethylsulfanyl-4-[2-(3-phenylpropoxy)phenyl]pyran-2-one

3-phenethylsulfanyl-4-[2-(3-phenylpropoxy)phenyl]pyran-2-one

Systemtic Name:3-phenethylsulfanyl-4-[2-(3-phenylpropoxy)phenyl]pyran-2-one
Openeye Name:3-phenethylsulfanyl-4-[2-(3-phenylpropoxy)phenyl]pyran-2-one
CAS Name:3-(phenethylthio)-4-[2-(3-phenylpropoxy)phenyl]-2-pyranone
IUPAC Name:3-phenethylsulfanyl-4-[2-(3-phenylpropoxy)phenyl]pyran-2-one
Traditional Name:3-(phenethylthio)-4-[2-(3-phenylpropoxy)phenyl]pyran-2-one
Formula: C28H26O3S
MolecularWeight: 442.56924
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=CC=C2C3=C(C(=O)OC=C3)SCCC4=CC=CC=C4


Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=CC=C2C3=C(C(=O)OC=C3)SCCC4=CC=CC=C4


InChI

InChI=1S/C28H26O3S/c29-28-27(32-21-18-23-12-5-2-6-13-23)25(17-20-31-28)24-15-7-8-16-26(24)30-19-9-14-22-10-3-1-4-11-22/h1-8,10-13,15-17,20H,9,14,18-19,21H2


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