(E)-3-(3,5-dihexadecoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dihexadecoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3,5-dihexadecoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-3-(3,5-dihexadecoxyphenyl)-1-[4-(propylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3,5-dihexadecoxyphenyl)-1-(4-propylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3,5-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=CC(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C50H82O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-39-52-47-42-45(33-38-50(51)46-34-36-49(37-35-46)54-41-6-3)43-48(44-47)53-40-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h33-38,42-44H,4-32,39-41H2,1-3H3/b38-33+