2-bromanyl-6-methylsulfonyl-5-phenylsulfanyl-2,3-dihydroinden-1-one

Systemtic Name: 2-bromanyl-6-methylsulfonyl-5-phenylsulfanyl-2,3-dihydroinden-1-one Openeye Name: 2-bromo-6-methylsulfonyl-5-phenylsulfanyl-indan-1-one CAS Name: 2-bromo-6-methylsulfonyl-5-(phenylthio)-2,3-dihydroinden-1-one IUPAC Name: 2-bromo-6-methylsulfonyl-5-phenylsulfanyl-2,3-dihydroinden-1-one Traditional Name: 2-bromo-6-mesyl-5-(phenylthio)indan-1-one Formula: C16H13BrO3S2 MolecularWeight: 397.30662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C2CC(C(=O)C2=C1)Br)SC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=C(C=C2CC(C(=O)C2=C1)Br)SC3=CC=CC=C3

InChI

InChI=1S/C16H13BrO3S2/c1-22(19,20)15-9-12-10(7-13(17)16(12)18)8-14(15)21-11-5-3-2-4-6-11/h2-6,8-9,13H,7H2,1H3