6-bromanyl-3-[2-(4-tert-butylphenyl)sulfonylethanoyl]chromen-2-one

Systemtic Name: 6-bromanyl-3-[2-(4-tert-butylphenyl)sulfonylethanoyl]chromen-2-one Openeye Name: 6-bromo-3-[2-(4-tert-butylphenyl)sulfonylacetyl]chromen-2-one CAS Name: 6-bromo-3-[2-(4-tert-butylphenyl)sulfonyl-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[2-(4-tert-butylphenyl)sulfonylacetyl]chromen-2-one Traditional Name: 6-bromo-3-[2-(4-tert-butylphenyl)sulfonylacetyl]coumarin Formula: C21H19BrO5S MolecularWeight: 463.34156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrO5S/c1-21(2,3)14-4-7-16(8-5-14)28(25,26)12-18(23)17-11-13-10-15(22)6-9-19(13)27-20(17)24/h4-11H,12H2,1-3H3