6-bromanyl-3-[2-(phenylsulfonyl)ethanoyl]chromen-2-one

Systemtic Name: 6-bromanyl-3-[2-(phenylsulfonyl)ethanoyl]chromen-2-one Openeye Name: 3-[2-(benzenesulfonyl)acetyl]-6-bromo-chromen-2-one CAS Name: 3-[2-(benzenesulfonyl)-1-oxoethyl]-6-bromo-1-benzopyran-2-one IUPAC Name: 3-[2-(benzenesulfonyl)acetyl]-6-bromochromen-2-one Traditional Name: 3-(2-besylacetyl)-6-bromo-coumarin Formula: C17H11BrO5S MolecularWeight: 407.23524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C17H11BrO5S/c18-12-6-7-16-11(8-12)9-14(17(20)23-16)15(19)10-24(21,22)13-4-2-1-3-5-13/h1-9H,10H2