(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H22O6S MolecularWeight: 414.47148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C22H22O6S/c1-14-4-6-18(7-5-14)29(25,26)9-8-21(23)27-13-17-12-22(24)28-20-11-16(3)15(2)10-19(17)20/h4-7,10-12H,8-9,13H2,1-3H3