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

Systemtic Name: (E)-3-(4-bromanyl-4-octadecylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-bromo-4-octadecylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-bromo-4-(octadecylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-bromo-4-octadecylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-bromo-4-(stearylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C33H49BrOS MolecularWeight: 573.71056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)Br

InChI

InChI=1S/C33H49BrOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-36-33(34)27-25-30(26-28-33)23-24-32(35)31-21-18-17-19-22-31/h17-19,21-28,30H,2-16,20,29H2,1H3/b24-23+