5-[(E)-3-bromanyl-2-(phenylsulfinyl)prop-1-enyl]-1,3-benzodioxole

Systemtic Name: 5-[(E)-3-bromanyl-2-(phenylsulfinyl)prop-1-enyl]-1,3-benzodioxole Openeye Name: 5-[(E)-2-(benzenesulfinyl)-3-bromo-prop-1-enyl]-1,3-benzodioxole CAS Name: 5-[(E)-2-(benzenesulfinyl)-3-bromoprop-1-enyl]-1,3-benzodioxole IUPAC Name: 5-[(E)-2-(benzenesulfinyl)-3-bromoprop-1-enyl]-1,3-benzodioxole Traditional Name: 5-[(E)-2-(benzenesulfinyl)-3-bromo-prop-1-enyl]-1,3-benzodioxole Formula: C16H13BrO3S MolecularWeight: 365.24162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(CBr)S(=O)C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\CBr)/S(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13BrO3S/c17-10-14(21(18)13-4-2-1-3-5-13)8-12-6-7-15-16(9-12)20-11-19-15/h1-9H,10-11H2/b14-8+