(2Z)-3-methylsulfanyl-1-phenyl-2-(phenylmethylidene)-3-propyl-tridecan-1-one

Systemtic Name: (2Z)-3-methylsulfanyl-1-phenyl-2-(phenylmethylidene)-3-propyl-tridecan-1-one Openeye Name: (2Z)-2-benzylidene-3-methylsulfanyl-1-phenyl-3-propyl-tridecan-1-one CAS Name: (2Z)-3-(methylthio)-1-phenyl-2-(phenylmethylene)-3-propyl-1-tridecanone IUPAC Name: (2Z)-2-benzylidene-3-methylsulfanyl-1-phenyl-3-propyltridecan-1-one Traditional Name: (Z)-2-[1-(methylthio)-1-propyl-undecyl]-1,3-diphenyl-prop-2-en-1-one Formula: C30H42OS MolecularWeight: 450.71888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCC)(C(=CC1=CC=CC=C1)C(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCCCCCCCCCC(CCC)(/C(=C\C1=CC=CC=C1)/C(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C30H42OS/c1-4-6-7-8-9-10-11-18-24-30(32-3,23-5-2)28(25-26-19-14-12-15-20-26)29(31)27-21-16-13-17-22-27/h12-17,19-22,25H,4-11,18,23-24H2,1-3H3/b28-25-