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

Systemtic Name: (E)-3-[4-(4-methylpentylsulfanyl)-3,5-di(tridecoxy)phenyl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-[4-isohexylsulfanyl-3,5-di(tridecoxy)phenyl]-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(4-methylpentylthio)-3,5-di(tridecoxy)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[4-(4-methylpentylsulfanyl)-3,5-di(tridecoxy)phenyl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(isohexylthio)-3,5-di(tridecoxy)phenyl]-1-phenyl-prop-2-en-1-one Formula: C47H76O3S MolecularWeight: 721.16954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC(=CC(=C1SCCCC(C)C)OCCCCCCCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC(=CC(=C1SCCCC(C)C)OCCCCCCCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C47H76O3S/c1-5-7-9-11-13-15-17-19-21-23-28-36-49-45-39-42(34-35-44(48)43-32-26-25-27-33-43)40-46(47(45)51-38-30-31-41(3)4)50-37-29-24-22-20-18-16-14-12-10-8-6-2/h25-27,32-35,39-41H,5-24,28-31,36-38H2,1-4H3/b35-34+