(E)-1-phenyl-3-[2,4,6-tris(bromanyl)-4-heptylsulfanyl-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one

Systemtic Name: (E)-1-phenyl-3-[2,4,6-tris(bromanyl)-4-heptylsulfanyl-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(2,4,6-tribromo-4-heptylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[2,4,6-tribromo-4-(heptylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(2,4,6-tribromo-4-heptylsulfanylcyclohexa-2,5-dien-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[2,4,6-tribromo-4-(heptylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C22H25Br3OS MolecularWeight: 577.2103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25Br3OS/c1-2-3-4-5-9-14-27-22(25)15-19(23)18(20(24)16-22)12-13-21(26)17-10-7-6-8-11-17/h6-8,10-13,15-16,18H,2-5,9,14H2,1H3/b13-12+