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

Systemtic Name: (E)-3-(4-bromanyl-4-heptylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-bromo-4-heptylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-bromo-4-(heptylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-bromo-4-heptylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-bromo-4-(heptylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C22H27BrOS MolecularWeight: 419.41818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)Br

Isomeric SMILES

CCCCCCCSC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)Br

InChI

InChI=1S/C22H27BrOS/c1-2-3-4-5-9-18-25-22(23)16-14-19(15-17-22)12-13-21(24)20-10-7-6-8-11-20/h6-8,10-17,19H,2-5,9,18H2,1H3/b13-12+