6-bromanyl-2-phenyl-8-[[(E)-3-phenylprop-2-enyl]sulfanylmethyl]-4H-1,3-benzodioxine

Systemtic Name: 6-bromanyl-2-phenyl-8-[[(E)-3-phenylprop-2-enyl]sulfanylmethyl]-4H-1,3-benzodioxine Openeye Name: 6-bromo-8-[[(E)-cinnamyl]sulfanylmethyl]-2-phenyl-4H-1,3-benzodioxine CAS Name: 6-bromo-2-phenyl-8-[[[(E)-3-phenylprop-2-enyl]thio]methyl]-4H-1,3-benzodioxin IUPAC Name: 6-bromo-2-phenyl-8-[[(E)-3-phenylprop-2-enyl]sulfanylmethyl]-4H-1,3-benzodioxine Traditional Name: 6-bromo-8-[[[(E)-cinnamyl]thio]methyl]-2-phenyl-4H-1,3-benzodioxin Formula: C24H21BrO2S MolecularWeight: 453.39134

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSCC=CC4=CC=CC=C4)Br

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC/C=C/C4=CC=CC=C4)Br

InChI

InChI=1S/C24H21BrO2S/c25-22-14-20-16-26-24(19-11-5-2-6-12-19)27-23(20)21(15-22)17-28-13-7-10-18-8-3-1-4-9-18/h1-12,14-15,24H,13,16-17H2/b10-7+