(E)-3-(3,4-dihexadecoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,4-dihexadecoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3,4-dihexadecoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-3-(3,4-dihexadecoxyphenyl)-1-[4-(propylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3,4-dihexadecoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3,4-dicetyloxyphenyl)-1-[4-(propylthio)phenyl]prop-2-en-1-one Formula: C50H82O3S MolecularWeight: 763.24928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C50H82O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-41-52-49-40-34-45(33-39-48(51)46-35-37-47(38-36-46)54-43-6-3)44-50(49)53-42-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h33-40,44H,4-32,41-43H2,1-3H3/b39-33+