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

Systemtic Name: 6-bromanyl-3-[2-(4-methylphenyl)sulfonylethanoyl]chromen-2-one Openeye Name: 6-bromo-3-[2-(p-tolylsulfonyl)acetyl]chromen-2-one CAS Name: 6-bromo-3-[2-(4-methylphenyl)sulfonyl-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[2-(4-methylphenyl)sulfonylacetyl]chromen-2-one Traditional Name: 6-bromo-3-(2-tosylacetyl)coumarin Formula: C18H13BrO5S MolecularWeight: 421.26182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C18H13BrO5S/c1-11-2-5-14(6-3-11)25(22,23)10-16(20)15-9-12-8-13(19)4-7-17(12)24-18(15)21/h2-9H,10H2,1H3