(E)-3-(4-hexadecyl-4-methylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-hexadecyl-4-methylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-hexadecyl-4-methylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-hexadecyl-4-(methylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-hexadecyl-4-methylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-cetyl-4-(methylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C32H48OS MolecularWeight: 480.78792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C32H48OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-32(34-2)27-24-29(25-28-32)22-23-31(33)30-20-17-16-18-21-30/h16-18,20-25,27-29H,3-15,19,26H2,1-2H3/b23-22+