7a-[3-(4-bromophenyl)-3-oxidanyl-prop-1-ynyl]-4,5,6,7-tetrahydro-3aH-1,3-benzodioxol-2-one

Systemtic Name: 7a-[3-(4-bromophenyl)-3-oxidanyl-prop-1-ynyl]-4,5,6,7-tetrahydro-3aH-1,3-benzodioxol-2-one Openeye Name: 7a-[3-(4-bromophenyl)-3-hydroxy-prop-1-ynyl]-4,5,6,7-tetrahydro-3aH-1,3-benzodioxol-2-one CAS Name: 7a-[3-(4-bromophenyl)-3-hydroxyprop-1-ynyl]-4,5,6,7-tetrahydro-3aH-1,3-benzodioxol-2-one IUPAC Name: 7a-[3-(4-bromophenyl)-3-hydroxyprop-1-ynyl]-4,5,6,7-tetrahydro-3aH-1,3-benzodioxol-2-one Traditional Name: 7a-[3-(4-bromophenyl)-3-hydroxy-prop-1-ynyl]-4,5,6,7-tetrahydro-3aH-1,3-benzodioxol-2-one Formula: C16H15BrO4 MolecularWeight: 351.1919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)OC(=O)O2)C#CC(C3=CC=C(C=C3)Br)O

Isomeric SMILES

C1CCC2(C(C1)OC(=O)O2)C#CC(C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C16H15BrO4/c17-12-6-4-11(5-7-12)13(18)8-10-16-9-2-1-3-14(16)20-15(19)21-16/h4-7,13-14,18H,1-3,9H2