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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H20O7S MolecularWeight: 416.4443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C21H20O7S/c1-14-3-6-17(7-4-14)29(24,25)10-9-20(22)27-13-15-11-21(23)28-19-12-16(26-2)5-8-18(15)19/h3-8,11-12H,9-10,13H2,1-2H3