(E)-3-[3,5-di(pentadecoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[3,5-di(pentadecoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[3,5-di(pentadecoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-3-[3,5-di(pentadecoxy)phenyl]-1-[4-(propylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-3-[3,5-di(pentadecoxy)phenyl]-1-(4-propylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3,5-di(pentadecoxy)phenyl]-1-[4-(propylthio)phenyl]prop-2-en-1-one Formula: C48H78O3S MolecularWeight: 735.19612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC1=CC(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)SCCC)OCCCCCCCCCCCCCCC

InChI

InChI=1S/C48H78O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-37-50-45-40-43(31-36-48(49)44-32-34-47(35-33-44)52-39-6-3)41-46(42-45)51-38-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h31-36,40-42H,4-30,37-39H2,1-3H3/b36-31+