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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H19ClO6S MolecularWeight: 434.88996

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClO6S/c1-13-3-5-16(6-4-13)29(25,26)8-7-20(23)27-12-15-10-21(24)28-19-9-14(2)18(22)11-17(15)19/h3-6,9-11H,7-8,12H2,1-2H3