(4-methyl-2-oxidanylidene-chromen-7-yl) 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C20H18O6S MolecularWeight: 386.41832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C20H18O6S/c1-13-3-6-16(7-4-13)27(23,24)10-9-19(21)25-15-5-8-17-14(2)11-20(22)26-18(17)12-15/h3-8,11-12H,9-10H2,1-2H3