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

Systemtic Name: (E)-3-(4-dodecyl-4-methylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-dodecyl-4-methylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-dodecyl-4-(methylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-dodecyl-4-methylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-lauryl-4-(methylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C28H40OS MolecularWeight: 424.6816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCCCCCCCCCCCC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C28H40OS/c1-3-4-5-6-7-8-9-10-11-15-22-28(30-2)23-20-25(21-24-28)18-19-27(29)26-16-13-12-14-17-26/h12-14,16-21,23-25H,3-11,15,22H2,1-2H3/b19-18+