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

Systemtic Name: (E)-3-[4-(4-methylpentylsulfanyl)-2-tridecoxy-phenyl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-isohexylsulfanyl-2-tridecoxy-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(4-methylpentylthio)-2-tridecoxyphenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[4-(4-methylpentylsulfanyl)-2-tridecoxyphenyl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(isohexylthio)-2-tridecoxy-phenyl]-1-phenyl-prop-2-en-1-one Formula: C34H50O2S MolecularWeight: 522.8246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=C(C=CC(=C1)SCCCC(C)C)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCOC1=C(C=CC(=C1)SCCCC(C)C)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C34H50O2S/c1-4-5-6-7-8-9-10-11-12-13-17-26-36-34-28-32(37-27-18-19-29(2)3)24-22-31(34)23-25-33(35)30-20-15-14-16-21-30/h14-16,20-25,28-29H,4-13,17-19,26-27H2,1-3H3/b25-23+