8-methyl-3-[2-(phenylsulfonyl)ethanoyl]chromen-2-one

Systemtic Name: 8-methyl-3-[2-(phenylsulfonyl)ethanoyl]chromen-2-one Openeye Name: 3-[2-(benzenesulfonyl)acetyl]-8-methyl-chromen-2-one CAS Name: 3-[2-(benzenesulfonyl)-1-oxoethyl]-8-methyl-1-benzopyran-2-one IUPAC Name: 3-[2-(benzenesulfonyl)acetyl]-8-methylchromen-2-one Traditional Name: 3-(2-besylacetyl)-8-methyl-coumarin Formula: C18H14O5S MolecularWeight: 342.36576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC(=O)C(=C2)C(=O)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC2=C1OC(=O)C(=C2)C(=O)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H14O5S/c1-12-6-5-7-13-10-15(18(20)23-17(12)13)16(19)11-24(21,22)14-8-3-2-4-9-14/h2-10H,11H2,1H3